SARS-CoV-2
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This section: We are searching the best current drugs that could be used to treat COVID-19. Drug repurposing means that a drug that is currently used for a specific condition could be effective in treating a new condition (COVID-19). Therefore, we calculated the affinity energies for the interactions between all drugs (ligands) available at DrugBank database (DB) and different human and SARS-CoV-2 proteins (targets). The drugs should interact with viral proteins in order to disturb the normal function in the virus multiplication or with human proteins from cell receptors or other human proteins involved in virus multiplication (the virus uses human cell proteins to multiply). Hint: Search for a specific drug in the table below or identify it in the dynamic plots to compare it with other drugs. You can export pictures from the plot, zoom in/out, etc. (check the tools by moving the cursor above the plot). |
Our Results: The first dynamic plot depicts as a box plot all the interactions of the current drugs with different protein targets (from human or virus). In addition all the datapoints are plotted to identify each interaction. The current results show that the best drugs for the ACE2 human receptor protein (PDB ID: 6CS2) are two carboxamide derivates (DB07020 and DB07833), Nilotinib (DB04868), Phthalocyanine (DB12983) and Radotinib (DB12323). The best target for interaction is 6CS2 (the area of virus contact with the ACE2 receptor protein). The second dynamic plot presents only the best 50 interactions of the current drugs grouped by target. The table shows the best 15,825 interactions between all current drugs and different protein ligands. Targets=18, Ligands=3629, Ligand families=DB (drugs). The compound with the most negative AE value (lowest AE) has the best interaction with a specific target. All the interactions are presented as plots, using AE values for each pair of drug - protein target, with a cutoff of -8.5 kcal/mol (only strong interactions). |
Interactions between Databank drug ligands with human and virus protein targets
| AE | Target | Ligand | GENERIC_NAME | INCHI_KEY | Short_description |
|---|---|---|---|---|---|
| -14.7 | 6w9c | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | PL pro |
| -13.6 | 6crv | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | spike glycoprotein |
| -12.8 | 6m3m | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | nucleocapsid protein |
| -12.5 | 6m2n | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | 3CL pro |
| -12.4 | 6crv | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | spike glycoprotein |
| -12.4 | 6m3m | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | nucleocapsid protein |
| -12.3 | 6crv | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | spike glycoprotein |
| -12.2 | 6crv | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | spike glycoprotein |
| -12.2 | 7bv1 | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -12.2 | 6crv | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | spike glycoprotein |
| -12.1 | 6crv | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | spike glycoprotein |
| -12.1 | 6w9c | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | PL pro |
| -12.1 | 6w9c | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | PL pro |
| -12.0 | 6m3m | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | nucleocapsid protein |
| -12.0 | 6crv | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | spike glycoprotein |
| -11.9 | 6crv | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | spike glycoprotein |
| -11.9 | 6vxx | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | spike glycoprotein |
| -11.9 | 6vxx | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | spike glycoprotein |
| -11.9 | 6crv | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | spike glycoprotein |
| -11.9 | 6crv | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | spike glycoprotein |
| -11.8 | 6crv | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | spike glycoprotein |
| -11.8 | 6lxt | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | S2 unit |
| -11.8 | 6w4b | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | nsp9 |
| -11.8 | 6w9c | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | PL pro |
| -11.8 | 6crv | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | spike glycoprotein |
| -11.7 | 6m2n | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | 3CL pro |
| -11.7 | 6crv | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | spike glycoprotein |
| -11.7 | 6crv | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | spike glycoprotein |
| -11.7 | 6m3m | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | nucleocapsid protein |
| -11.7 | 6m2n | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | 3CL pro |
| -11.7 | 6crv | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | spike glycoprotein |
| -11.7 | 6crv | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | spike glycoprotein |
| -11.7 | 6crv | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | spike glycoprotein |
| -11.7 | 6m2n | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | 3CL pro |
| -11.7 | 6crv | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | spike glycoprotein |
| -11.7 | 6cs2 | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -11.7 | 6crv | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | spike glycoprotein |
| -11.6 | 6crv | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | spike glycoprotein |
| -11.6 | 6m2n | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | 3CL pro |
| -11.6 | 6m3m | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | nucleocapsid protein |
| -11.6 | 6vxx | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | spike glycoprotein |
| -11.6 | 6w9q | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -11.6 | 6crv | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | spike glycoprotein |
| -11.6 | 6crv | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | spike glycoprotein |
| -11.6 | 6w9c | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | PL pro |
| -11.6 | 6m3m | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | nucleocapsid protein |
| -11.6 | 6vxx | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | spike glycoprotein |
| -11.5 | 6crv | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | spike glycoprotein |
| -11.5 | 6cs2 | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -11.5 | 6crv | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | spike glycoprotein |
| -11.5 | 6crv | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | spike glycoprotein |
| -11.5 | 6cs2 | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -11.5 | 6m3m | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | nucleocapsid protein |
| -11.5 | 6m2n | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | 3CL pro |
| -11.5 | 6m2n | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | 3CL pro |
| -11.5 | 6m2n | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | 3CL pro |
| -11.5 | 6m2n | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | 3CL pro |
| -11.5 | 6crv | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | spike glycoprotein |
| -11.4 | 6crv | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | spike glycoprotein |
| -11.4 | 6crv | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | spike glycoprotein |
| -11.4 | 6m2n | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | 3CL pro |
| -11.4 | 6m2n | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | 3CL pro |
| -11.4 | 6m3m | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | nucleocapsid protein |
| -11.4 | 6crv | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | spike glycoprotein |
| -11.4 | 6w9c | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | PL pro |
| -11.4 | 6cs2 | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -11.4 | 6vxx | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | spike glycoprotein |
| -11.4 | 6crv | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | spike glycoprotein |
| -11.4 | 6vxx | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | spike glycoprotein |
| -11.4 | 6vxx | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | spike glycoprotein |
| -11.4 | 6w9c | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | PL pro |
| -11.3 | 6m3m | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | nucleocapsid protein |
| -11.3 | 6vxx | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | spike glycoprotein |
| -11.3 | 6w9c | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | PL pro |
| -11.3 | 6crv | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | spike glycoprotein |
| -11.3 | 6vxs | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -11.3 | 6cs2 | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -11.3 | 6w4h | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | nsp16 - nsp10 |
| -11.3 | 6vxx | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | spike glycoprotein |
| -11.3 | 6m3m | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | nucleocapsid protein |
| -11.3 | 6vxx | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | spike glycoprotein |
| -11.3 | 6m2n | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | 3CL pro |
| -11.3 | 6m3m | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | nucleocapsid protein |
| -11.3 | 6vxx | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | spike glycoprotein |
| -11.3 | 6crv | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | spike glycoprotein |
| -11.3 | 6m3m | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | nucleocapsid protein |
| -11.3 | 6vxx | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | spike glycoprotein |
| -11.3 | 6crv | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | spike glycoprotein |
| -11.3 | 6vxx | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | spike glycoprotein |
| -11.3 | 6m3m | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | nucleocapsid protein |
| -11.2 | 6crv | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | spike glycoprotein |
| -11.2 | 6m2n | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | 3CL pro |
| -11.2 | 6crv | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | spike glycoprotein |
| -11.2 | 6m3m | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | nucleocapsid protein |
| -11.2 | 6crv | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | spike glycoprotein |
| -11.2 | 6m2n | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | 3CL pro |
| -11.2 | 6m2n | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | 3CL pro |
| -11.2 | 6m2n | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | 3CL pro |
| -11.2 | 6vxx | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | spike glycoprotein |
| -11.2 | 6m2n | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | 3CL pro |
| -11.2 | 6m3m | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | nucleocapsid protein |
| -11.2 | 6w9c | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | PL pro |
| -11.2 | 6m3m | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | nucleocapsid protein |
| -11.2 | 6m3m | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | nucleocapsid protein |
| -11.2 | 6crv | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | spike glycoprotein |
| -11.2 | 6m2n | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | 3CL pro |
| -11.2 | 6crv | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | spike glycoprotein |
| -11.2 | 6vxx | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | spike glycoprotein |
| -11.2 | 6m2n | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | 3CL pro |
| -11.2 | 6m71 | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -11.2 | 6m2n | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | 3CL pro |
| -11.2 | 6m3m | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | nucleocapsid protein |
| -11.2 | 6m2n | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | 3CL pro |
| -11.2 | 6crv | DB15269 | ALK-4290 | DWKNOLCXIFYNFV-HSZRJFAPSA-N | spike glycoprotein |
| -11.2 | 6crv | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | spike glycoprotein |
| -11.1 | 6m3m | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | nucleocapsid protein |
| -11.1 | 6w9c | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | PL pro |
| -11.1 | 6m3m | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | nucleocapsid protein |
| -11.1 | 6crv | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | spike glycoprotein |
| -11.1 | 6m2n | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | 3CL pro |
| -11.1 | 6cs2 | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -11.1 | 6crv | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | spike glycoprotein |
| -11.1 | 6m3m | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | nucleocapsid protein |
| -11.1 | 6vxx | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | spike glycoprotein |
| -11.1 | 6crv | DB15356 | SLV-334 | LOFDNSDPZTVIIO-VPUSJEBWSA-N | spike glycoprotein |
| -11.1 | 6m3m | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | nucleocapsid protein |
| -11.1 | 6m2n | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | 3CL pro |
| -11.1 | 6m2n | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | 3CL pro |
| -11.1 | 6vxx | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | spike glycoprotein |
| -11.1 | 6crv | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | spike glycoprotein |
| -11.1 | 6m3m | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | nucleocapsid protein |
| -11.1 | 6w9c | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | PL pro |
| -11.1 | 6w9c | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | PL pro |
| -11.1 | 6m3m | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | nucleocapsid protein |
| -11.1 | 6vxx | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | spike glycoprotein |
| -11.1 | 6crv | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | spike glycoprotein |
| -11.1 | 6m3m | DB14664 | Difluocortolone pivalate | UWGRWFCLGQWKPR-GSTUPEFVSA-N | nucleocapsid protein |
| -11.1 | 6vxx | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | spike glycoprotein |
| -11.1 | 6vxx | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | spike glycoprotein |
| -11.1 | 6m3m | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | nucleocapsid protein |
| -11.1 | 6crv | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | spike glycoprotein |
| -11.1 | 6crv | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | spike glycoprotein |
| -11.1 | 6crv | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | spike glycoprotein |
| -11.1 | 6cs2 | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -11.1 | 6w9c | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | PL pro |
| -11.1 | 6crv | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | spike glycoprotein |
| -11.1 | 6m3m | DB07716 | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL | VDRIXSJOPKVWKM-HXGIDPQASA-N | nucleocapsid protein |
| -11.1 | 6m3m | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | nucleocapsid protein |
| -11.1 | 6m3m | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | nucleocapsid protein |
| -11.0 | 6m2n | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | 3CL pro |
| -11.0 | 6crv | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6vxx | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6crv | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | spike glycoprotein |
| -11.0 | 6crv | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | spike glycoprotein |
| -11.0 | 6vxx | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6m3m | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | nucleocapsid protein |
| -11.0 | 6m3m | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | nucleocapsid protein |
| -11.0 | 6crv | DB12127 | Sultamicillin | OPYGFNJSCUDTBT-PMLPCWDUSA-N | spike glycoprotein |
| -11.0 | 6crv | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6m2n | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | 3CL pro |
| -11.0 | 6vxx | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | spike glycoprotein |
| -11.0 | 6w4h | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | nsp16 - nsp10 |
| -11.0 | 6m3m | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | nucleocapsid protein |
| -11.0 | 7bv1 | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | nsp12-nsp7-nsp8 |
| -11.0 | 6vxx | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6m2n | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | 3CL pro |
| -11.0 | 6vxx | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | spike glycoprotein |
| -11.0 | 6m2n | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | 3CL pro |
| -11.0 | 6m3m | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | nucleocapsid protein |
| -11.0 | 6m2n | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | 3CL pro |
| -11.0 | 6cs2 | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | ACE2 area for S-protein binding |
| -11.0 | 6m3m | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | nucleocapsid protein |
| -11.0 | 6crv | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6vxx | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6crv | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6m2n | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | 3CL pro |
| -11.0 | 6m3m | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | nucleocapsid protein |
| -11.0 | 6m3m | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | nucleocapsid protein |
| -11.0 | 6crv | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6crv | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6w4h | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | nsp16 - nsp10 |
| -11.0 | 6crv | DB06311 | Darapladib | WDPFJWLDPVQCAJ-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6m3m | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | nucleocapsid protein |
| -11.0 | 6m3m | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | nucleocapsid protein |
| -11.0 | 6w9c | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | PL pro |
| -11.0 | 6w9c | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | PL pro |
| -11.0 | 6crv | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | spike glycoprotein |
| -11.0 | 6crv | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | spike glycoprotein |
| -11.0 | 6crv | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | spike glycoprotein |
| -11.0 | 6w9c | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | PL pro |
| -11.0 | 6m2n | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | 3CL pro |
| -10.9 | 6m3m | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | nucleocapsid protein |
| -10.9 | 6m3m | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | nucleocapsid protein |
| -10.9 | 6m2n | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | 3CL pro |
| -10.9 | 6m2n | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | 3CL pro |
| -10.9 | 6crv | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | spike glycoprotein |
| -10.9 | 6crv | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | spike glycoprotein |
| -10.9 | 6m3m | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | nucleocapsid protein |
| -10.9 | 6m2n | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | 3CL pro |
| -10.9 | 6w9c | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | PL pro |
| -10.9 | 6crv | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | spike glycoprotein |
| -10.9 | 6m2n | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | 3CL pro |
| -10.9 | 6m3m | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | nucleocapsid protein |
| -10.9 | 6cs2 | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | ACE2 area for S-protein binding |
| -10.9 | 6crv | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | spike glycoprotein |
| -10.9 | 6w4h | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.9 | 6vxx | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | spike glycoprotein |
| -10.9 | 6crv | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | spike glycoprotein |
| -10.9 | 6crv | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | spike glycoprotein |
| -10.9 | 6w9c | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | PL pro |
| -10.9 | 6crv | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | spike glycoprotein |
| -10.9 | 6w9c | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | PL pro |
| -10.9 | 6vxx | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | spike glycoprotein |
| -10.9 | 6crv | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | spike glycoprotein |
| -10.9 | 6crv | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | spike glycoprotein |
| -10.9 | 6vxx | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | spike glycoprotein |
| -10.9 | 6crv | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | spike glycoprotein |
| -10.9 | 6m3m | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | nucleocapsid protein |
| -10.9 | 6m3m | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | nucleocapsid protein |
| -10.9 | 6cs2 | DB07834 | N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | FOHZGCHKLPIBBX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.9 | 6m3m | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | nucleocapsid protein |
| -10.9 | 6crv | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | spike glycoprotein |
| -10.9 | 6lxt | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | S2 unit |
| -10.9 | 6crv | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | spike glycoprotein |
| -10.9 | 6m2n | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | 3CL pro |
| -10.9 | 6vxx | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | spike glycoprotein |
| -10.9 | 6w9c | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | PL pro |
| -10.9 | 6m3m | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | nucleocapsid protein |
| -10.9 | 6m2n | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | 3CL pro |
| -10.9 | 6crv | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | spike glycoprotein |
| -10.9 | 6vxx | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | spike glycoprotein |
| -10.9 | 6vxx | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | spike glycoprotein |
| -10.9 | 6m3m | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | nucleocapsid protein |
| -10.9 | 6m3m | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | nucleocapsid protein |
| -10.9 | 6vxx | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | spike glycoprotein |
| -10.9 | 6crv | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | spike glycoprotein |
| -10.9 | 6crv | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | spike glycoprotein |
| -10.9 | 6m2n | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | 3CL pro |
| -10.9 | 6m3m | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | nucleocapsid protein |
| -10.9 | 6cs2 | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.9 | 6w9c | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | PL pro |
| -10.9 | 6vxx | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | spike glycoprotein |
| -10.9 | 6crv | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | spike glycoprotein |
| -10.9 | 6w9c | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | PL pro |
| -10.9 | 6vxs | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | ribose phosphatase of NSP3 |
| -10.9 | 6m2n | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | 3CL pro |
| -10.8 | 6crv | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | spike glycoprotein |
| -10.8 | 6crv | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | spike glycoprotein |
| -10.8 | 6m2n | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | 3CL pro |
| -10.8 | 6crv | DB06634 | Casopitant | XGGTZCKQRWXCHW-WMTVXVAQSA-N | spike glycoprotein |
| -10.8 | 6vxx | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6m3m | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | nucleocapsid protein |
| -10.8 | 6vxx | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | spike glycoprotein |
| -10.8 | 6crv | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6m2n | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | 3CL pro |
| -10.8 | 6w9c | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | PL pro |
| -10.8 | 6cs2 | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.8 | 6cs2 | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.8 | 6w4h | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.8 | 6vxx | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | spike glycoprotein |
| -10.8 | 6m2n | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | 3CL pro |
| -10.8 | 6vxx | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6crv | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6m3m | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | nucleocapsid protein |
| -10.8 | 6vxx | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | spike glycoprotein |
| -10.8 | 6vxx | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6crv | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | spike glycoprotein |
| -10.8 | 6w9c | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | PL pro |
| -10.8 | 6crv | DB12996 | Acteoside | FBSKJMQYURKNSU-ZLSOWSIRSA-N | spike glycoprotein |
| -10.8 | 6vxx | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6crv | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6vxx | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6w9c | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | PL pro |
| -10.8 | 6m2n | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | 3CL pro |
| -10.8 | 6cs2 | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -10.8 | 6m3m | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | nucleocapsid protein |
| -10.8 | 6m2n | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | 3CL pro |
| -10.8 | 6m3m | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | nucleocapsid protein |
| -10.8 | 6w9c | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | PL pro |
| -10.8 | 6m3m | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | nucleocapsid protein |
| -10.8 | 6m2n | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | 3CL pro |
| -10.8 | 6m3m | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | nucleocapsid protein |
| -10.8 | 6m3m | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | nucleocapsid protein |
| -10.8 | 6cs2 | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.8 | 6crv | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6vxx | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | spike glycoprotein |
| -10.8 | 6crv | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | spike glycoprotein |
| -10.8 | 6m2n | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | 3CL pro |
| -10.8 | 6vxx | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6w9c | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | PL pro |
| -10.8 | 6m2n | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | 3CL pro |
| -10.8 | 6m2n | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | 3CL pro |
| -10.8 | 6m2n | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | 3CL pro |
| -10.8 | 6w4h | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | nsp16 - nsp10 |
| -10.8 | 6crv | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | spike glycoprotein |
| -10.8 | 6lxt | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | S2 unit |
| -10.8 | 6crv | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6m3m | DB01147 | Cloxacillin | LQOLIRLGBULYKD-JKIFEVAISA-N | nucleocapsid protein |
| -10.8 | 6m3m | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | nucleocapsid protein |
| -10.8 | 6crv | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | spike glycoprotein |
| -10.8 | 6crv | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | spike glycoprotein |
| -10.8 | 7bv1 | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.8 | 6m2n | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | 3CL pro |
| -10.8 | 6m3m | DB14679 | Quingestanol acetate | FLGJKPPXEKYCBY-AKCFYGDASA-N | nucleocapsid protein |
| -10.8 | 6crv | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | spike glycoprotein |
| -10.8 | 6crv | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | spike glycoprotein |
| -10.8 | 6cs2 | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | ACE2 area for S-protein binding |
| -10.8 | 6crv | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | spike glycoprotein |
| -10.8 | 6w9c | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | PL pro |
| -10.8 | 6vxx | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | spike glycoprotein |
| -10.8 | 6vxx | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | spike glycoprotein |
| -10.7 | 6m3m | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.7 | 6m2n | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | 3CL pro |
| -10.7 | 6w4h | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | nsp16 - nsp10 |
| -10.7 | 6crv | DB11984 | Letaxaban | GEHAEMCVKDPMKO-HXUWFJFHSA-N | spike glycoprotein |
| -10.7 | 6m2n | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | 3CL pro |
| -10.7 | 6crv | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | spike glycoprotein |
| -10.7 | 6w9c | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | PL pro |
| -10.7 | 6m3m | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.7 | 6crv | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | spike glycoprotein |
| -10.7 | 6crv | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.7 | 6m3m | DB09291 | Rolapitant | FIVSJYGQAIEMOC-ZGNKEGEESA-N | nucleocapsid protein |
| -10.7 | 6crv | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | spike glycoprotein |
| -10.7 | 6m2n | DB00224 | Indinavir | CBVCZFGXHXORBI-PXQQMZJSSA-N | 3CL pro |
| -10.7 | 6vxx | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | spike glycoprotein |
| -10.7 | 6crv | DB15046 | LY-2881835 | FHRWHNJJQGSCQC-LJAQVGFWSA-N | spike glycoprotein |
| -10.7 | 6m2n | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | 3CL pro |
| -10.7 | 6crv | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | spike glycoprotein |
| -10.7 | 6m2n | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | 3CL pro |
| -10.7 | 6crv | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | spike glycoprotein |
| -10.7 | 6w9c | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | PL pro |
| -10.7 | 6cs2 | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.7 | 6m3m | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | nucleocapsid protein |
| -10.7 | 6w9c | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | PL pro |
| -10.7 | 6m2n | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | 3CL pro |
| -10.7 | 6crv | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | spike glycoprotein |
| -10.7 | 6w9c | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | PL pro |
| -10.7 | 6w9c | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | PL pro |
| -10.7 | 6m3m | DB06581 | Bevirimat | YJEJKUQEXFSVCJ-WRFMNRASSA-N | nucleocapsid protein |
| -10.7 | 6m3m | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | nucleocapsid protein |
| -10.7 | 6vxx | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | spike glycoprotein |
| -10.7 | 6w9c | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | PL pro |
| -10.7 | 6m3m | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | nucleocapsid protein |
| -10.7 | 6m2n | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | 3CL pro |
| -10.7 | 6m3m | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | nucleocapsid protein |
| -10.7 | 6crv | DB00878 | Chlorhexidine | GHXZTYHSJHQHIJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.7 | 6crv | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | spike glycoprotein |
| -10.7 | 6vxs | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | ribose phosphatase of NSP3 |
| -10.7 | 6crv | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | spike glycoprotein |
| -10.7 | 6crv | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | spike glycoprotein |
| -10.7 | 6crv | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | spike glycoprotein |
| -10.7 | 6m3m | DB12843 | Oleandrin | JLPDBLFIVFSOCC-XYXFTTADSA-N | nucleocapsid protein |
| -10.7 | 6m2n | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | 3CL pro |
| -10.7 | 6crv | DB04983 | Denufosol | FPNPSEMJLALQSA-MIYUEGBISA-N | spike glycoprotein |
| -10.7 | 6cs2 | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | ACE2 area for S-protein binding |
| -10.7 | 6m2n | DB07629 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-DLBZAZTESA-N | 3CL pro |
| -10.7 | 6m3m | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | nucleocapsid protein |
| -10.7 | 6cs2 | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.7 | 6crv | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | spike glycoprotein |
| -10.7 | 6crv | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | spike glycoprotein |
| -10.7 | 6m3m | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | nucleocapsid protein |
| -10.7 | 6m3m | DB11577 | Indigotindisulfonic Acid | CFZXDJWFRVEWSR-BUHFOSPRSA-N | nucleocapsid protein |
| -10.7 | 6crv | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6w9c | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | PL pro |
| -10.6 | 6m2n | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | 3CL pro |
| -10.6 | 6cs2 | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | ACE2 area for S-protein binding |
| -10.6 | 6crv | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6crv | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m3m | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | nucleocapsid protein |
| -10.6 | 6crv | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6crv | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6crv | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6crv | DB05470 | VX-702 | FYSRKRZDBHOFAY-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m3m | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | nucleocapsid protein |
| -10.6 | 6vxx | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | spike glycoprotein |
| -10.6 | 6crv | DB07549 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | WOYBPRBUPLYTPY-UHFFFAOYSA-P | spike glycoprotein |
| -10.6 | 6m2n | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | 3CL pro |
| -10.6 | 6crv | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | spike glycoprotein |
| -10.6 | 6crv | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | spike glycoprotein |
| -10.6 | 6m3m | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | nucleocapsid protein |
| -10.6 | 6m2n | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | 3CL pro |
| -10.6 | 6m3m | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | nucleocapsid protein |
| -10.6 | 6m3m | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | nucleocapsid protein |
| -10.6 | 6m2n | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | 3CL pro |
| -10.6 | 6crv | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | spike glycoprotein |
| -10.6 | 6crv | DB00693 | Fluorescein | GNBHRKFJIUUOQI-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m3m | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | nucleocapsid protein |
| -10.6 | 6m3m | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | nucleocapsid protein |
| -10.6 | 6crv | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m2n | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | 3CL pro |
| -10.6 | 6crv | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6cs2 | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | ACE2 area for S-protein binding |
| -10.6 | 6crv | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | spike glycoprotein |
| -10.6 | 6m3m | DB08822 | Azilsartan medoxomil | QJFSABGVXDWMIW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.6 | 6m3m | DB04690 | Camptothecin | VSJKWCGYPAHWDS-FQEVSTJZSA-N | nucleocapsid protein |
| -10.6 | 6vxx | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | spike glycoprotein |
| -10.6 | 6cs2 | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -10.6 | 6crv | DB09291 | Rolapitant | FIVSJYGQAIEMOC-ZGNKEGEESA-N | spike glycoprotein |
| -10.6 | 6m3m | DB00700 | Eplerenone | JUKPWJGBANNWMW-VWBFHTRKSA-N | nucleocapsid protein |
| -10.6 | 6crv | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | spike glycoprotein |
| -10.6 | 6crv | DB13931 | Netarsudil | OURRXQUGYQRVML-AREMUKBSSA-N | spike glycoprotein |
| -10.6 | 6cs2 | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | ACE2 area for S-protein binding |
| -10.6 | 6vxx | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | spike glycoprotein |
| -10.6 | 6w9c | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | PL pro |
| -10.6 | 6crv | DB06510 | Muraglitazar | IRLWJILLXJGJTD-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6w4h | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.6 | 6m2n | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | 3CL pro |
| -10.6 | 6m2n | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | 3CL pro |
| -10.6 | 6w9c | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | PL pro |
| -10.6 | 6m3m | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | nucleocapsid protein |
| -10.6 | 6w9c | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | PL pro |
| -10.6 | 6w9c | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | PL pro |
| -10.6 | 6vxs | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.6 | 6crv | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m3m | DB11487 | Dexamethasone isonicotinate | BQTXJHAJMDGOFI-NJLPOHDGSA-N | nucleocapsid protein |
| -10.6 | 6vxx | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | spike glycoprotein |
| -10.6 | 6m2n | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | 3CL pro |
| -10.6 | 6m71 | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | nsp12-nsp7-nsp8 |
| -10.6 | 6m3m | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.6 | 6w9c | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | PL pro |
| -10.6 | 6m3m | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.6 | 6w9c | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | PL pro |
| -10.6 | 6vxx | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m3m | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | nucleocapsid protein |
| -10.6 | 6w9c | DB13089 | Enoxolone | MPDGHEJMBKOTSU-YKLVYJNSSA-N | PL pro |
| -10.6 | 6vxx | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m2n | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | 3CL pro |
| -10.6 | 6m2n | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | 3CL pro |
| -10.6 | 6vxx | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | spike glycoprotein |
| -10.6 | 6crv | DB08400 | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | KUEKMTNOUPAOBS-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6vxx | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | spike glycoprotein |
| -10.6 | 6vxx | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | spike glycoprotein |
| -10.6 | 6m3m | DB01459 | Bezitramide | FLKWNFFCSSJANB-UHFFFAOYSA-N | nucleocapsid protein |
| -10.6 | 6m2n | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | 3CL pro |
| -10.6 | 6m3m | DB12130 | Lorlatinib | IIXWYSCJSQVBQM-LLVKDONJSA-N | nucleocapsid protein |
| -10.6 | 6m3m | DB09095 | Difluocortolone | OGPWIDANBSLJPC-RFPWEZLHSA-N | nucleocapsid protein |
| -10.6 | 6vxx | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6cs2 | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.6 | 6lxt | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | S2 unit |
| -10.6 | 6w9c | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | PL pro |
| -10.6 | 6crv | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | spike glycoprotein |
| -10.6 | 6cs2 | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.6 | 6m3m | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | nucleocapsid protein |
| -10.6 | 6m3m | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | nucleocapsid protein |
| -10.6 | 6crv | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | spike glycoprotein |
| -10.6 | 6m2n | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | 3CL pro |
| -10.6 | 6crv | DB04689 | 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | ZXWVCCFKIRBLDP-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m3m | DB00324 | Fluorometholone | FAOZLTXFLGPHNG-KNAQIMQKSA-N | nucleocapsid protein |
| -10.6 | 6crv | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | spike glycoprotein |
| -10.6 | 6crv | DB12929 | JNJ-39220675 | IQOWHZHNGJXGHG-UHFFFAOYSA-N | spike glycoprotein |
| -10.6 | 6m2n | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | 3CL pro |
| -10.6 | 6m2n | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | 3CL pro |
| -10.6 | 6w9c | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | PL pro |
| -10.5 | 6w9c | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | PL pro |
| -10.5 | 6crv | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6w9c | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | PL pro |
| -10.5 | 6vxx | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | nucleocapsid protein |
| -10.5 | 7bv1 | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | nsp12-nsp7-nsp8 |
| -10.5 | 6m3m | DB02259 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide | VSYGXLAJQDAWCZ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB07265 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID | JDARUOOLJCFUOY-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 7bv1 | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.5 | 6m2n | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | 3CL pro |
| -10.5 | 6m3m | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB15450 | PF-05105679 | BXNMZRPTQFVRFA-QGZVFWFLSA-N | nucleocapsid protein |
| -10.5 | 6m2n | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | 3CL pro |
| -10.5 | 6m3m | DB07031 | 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid | AANFHDFOMFRLLR-LJQANCHMSA-N | nucleocapsid protein |
| -10.5 | 6m2n | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | 3CL pro |
| -10.5 | 6vxx | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | spike glycoprotein |
| -10.5 | 6crv | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6crv | DB13422 | Nicofuranose | FUWFSXZKBMCSKF-ZASNTINBSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB00596 | Ulobetasol | LEHFPXVYPMWYQD-XHIJKXOTSA-N | nucleocapsid protein |
| -10.5 | 6m2n | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | 3CL pro |
| -10.5 | 6crv | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6crv | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | spike glycoprotein |
| -10.5 | 6w9c | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | PL pro |
| -10.5 | 6vxx | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | spike glycoprotein |
| -10.5 | 6m3m | DB14555 | Ursadiol | RTLXJEJRLWILSU-GWNGJUQLSA-N | nucleocapsid protein |
| -10.5 | 6vxx | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | nucleocapsid protein |
| -10.5 | 6vxs | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | ribose phosphatase of NSP3 |
| -10.5 | 6cs2 | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.5 | 6crv | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | spike glycoprotein |
| -10.5 | 6crv | DB07570 | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | ZKEZEXYKYHYIMQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6vxx | DB01830 | {4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid | SPSGYTWOIGAABK-DQEYMECFSA-N | spike glycoprotein |
| -10.5 | 6vxs | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.5 | 6vxx | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | spike glycoprotein |
| -10.5 | 6m2n | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | 3CL pro |
| -10.5 | 6m3m | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6crv | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6vxx | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | spike glycoprotein |
| -10.5 | 6vxx | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | nucleocapsid protein |
| -10.5 | 6crv | DB07692 | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine | SHWNKRPMUBFWKE-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6crv | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | spike glycoprotein |
| -10.5 | 6crv | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | nucleocapsid protein |
| -10.5 | 6crv | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6vxx | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | spike glycoprotein |
| -10.5 | 6m2n | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | 3CL pro |
| -10.5 | 6crv | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6crv | DB01514 | Furazabol | RGLLOUBXMOGLDQ-IVEVATEUSA-N | spike glycoprotein |
| -10.5 | 6lxt | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | S2 unit |
| -10.5 | 6crv | DB14982 | Miransertib | HNFMVVHMKGFCMB-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6crv | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | spike glycoprotein |
| -10.5 | 6vxx | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | spike glycoprotein |
| -10.5 | 6vxx | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | spike glycoprotein |
| -10.5 | 6w9c | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | PL pro |
| -10.5 | 6vxs | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | ribose phosphatase of NSP3 |
| -10.5 | 6m2n | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | 3CL pro |
| -10.5 | 6w9c | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | PL pro |
| -10.5 | 6crv | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB00301 | Flucloxacillin | UIOFUWFRIANQPC-JKIFEVAISA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB12480 | Betulinic Acid | QGJZLNKBHJESQX-FZFNOLFKSA-N | nucleocapsid protein |
| -10.5 | 6vxx | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m2n | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | 3CL pro |
| -10.5 | 6m3m | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | nucleocapsid protein |
| -10.5 | 6m2n | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | 3CL pro |
| -10.5 | 6crv | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6crv | DB02830 | FR236913 | KCCUBLLGAMGDJL-HXUWFJFHSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB12385 | 10-hydroxycamptothecin | HAWSQZCWOQZXHI-FQEVSTJZSA-N | nucleocapsid protein |
| -10.5 | 6m2n | DB06455 | Meclinertant | DYLJVOXRWLXDIG-UHFFFAOYSA-N | 3CL pro |
| -10.5 | 6crv | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB13867 | Fluticasone | MGNNYOODZCAHBA-GQKYHHCASA-N | nucleocapsid protein |
| -10.5 | 6w9c | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | PL pro |
| -10.5 | 6crv | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | spike glycoprotein |
| -10.5 | 6w9c | DB07629 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-DLBZAZTESA-N | PL pro |
| -10.5 | 6lzg | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.5 | 6w9c | DB02194 | 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | ULLMMKZQNNBLRN-SANMLTNESA-N | PL pro |
| -10.5 | 6m3m | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | nucleocapsid protein |
| -10.5 | 6m3m | DB13685 | Quingestanol | PCJFRMOEZQQSAX-AIOSZGMZSA-N | nucleocapsid protein |
| -10.5 | 6crv | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | spike glycoprotein |
| -10.5 | 6m3m | DB09003 | Clocapramine | QAZKXHSIKKNOHH-UHFFFAOYSA-N | nucleocapsid protein |
| -10.5 | 6crv | DB04030 | 1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole | ADXYEWMDAGIULV-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6crv | DB15057 | NUC-1031 | NHTKGYOMICWFQZ-KKQYNPQSSA-N | spike glycoprotein |
| -10.5 | 6w9c | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | PL pro |
| -10.5 | 6crv | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6m2n | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | 3CL pro |
| -10.5 | 6w9c | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | PL pro |
| -10.5 | 6m2n | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | 3CL pro |
| -10.5 | 6m3m | DB00663 | Flumethasone | WXURHACBFYSXBI-GQKYHHCASA-N | nucleocapsid protein |
| -10.5 | 6vxx | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | spike glycoprotein |
| -10.5 | 6m2n | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | 3CL pro |
| -10.5 | 6vxs | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | ribose phosphatase of NSP3 |
| -10.5 | 6crv | DB08429 | N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | QRGBOABBMKYMLG-UXHICEINSA-N | spike glycoprotein |
| -10.5 | 6m2n | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | 3CL pro |
| -10.5 | 6lxt | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | S2 unit |
| -10.5 | 6crv | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.5 | 6crv | DB11883 | SB-705498 | JYILLRHXRVTRSH-GFCCVEGCSA-N | spike glycoprotein |
| -10.5 | 6cs2 | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | ACE2 area for S-protein binding |
| -10.5 | 6m3m | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB14649 | Dexamethasone acetate | AKUJBENLRBOFTD-RPRRAYFGSA-N | nucleocapsid protein |
| -10.4 | 6vxx | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | spike glycoprotein |
| -10.4 | 6w4h | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.4 | 6crv | DB08497 | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | NKBDSMREMMRFSI-INIZCTEOSA-N | spike glycoprotein |
| -10.4 | 6crv | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB12622 | Lupeol | MQYXUWHLBZFQQO-QGTGJCAVSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB12725 | TD-8954 | MZOITCJKGUIQEI-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6crv | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6vxx | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB02519 | Indirubin-5-Sulphonate | IHBOEHLUIBMBMY-YPKPFQOOSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | spike glycoprotein |
| -10.4 | 6vxx | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | spike glycoprotein |
| -10.4 | 6w9c | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | PL pro |
| -10.4 | 6vxx | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m2n | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | 3CL pro |
| -10.4 | 6crv | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6w9c | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | PL pro |
| -10.4 | 6vxx | DB11616 | Pirarubicin | KMSKQZKKOZQFFG-YXRRJAAWSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6w4h | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.4 | 6crv | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | spike glycoprotein |
| -10.4 | 6crv | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | nucleocapsid protein |
| -10.4 | 6crv | DB04373 | 4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | WQUBEIMCFHCJCO-AWCRTANDSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | nucleocapsid protein |
| -10.4 | 6m2n | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | 3CL pro |
| -10.4 | 6crv | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m2n | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | 3CL pro |
| -10.4 | 6w9c | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | PL pro |
| -10.4 | 6m2n | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | 3CL pro |
| -10.4 | 6w9c | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | PL pro |
| -10.4 | 6m2n | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | 3CL pro |
| -10.4 | 6w4h | DB13003 | Cortivazol | RKHQGWMMUURILY-UHRZLXHJSA-N | nsp16 - nsp10 |
| -10.4 | 6cs2 | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | ACE2 area for S-protein binding |
| -10.4 | 6crv | DB07190 | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide | JGFCNVHEEMBVJG-MOPGFXCFSA-N | spike glycoprotein |
| -10.4 | 6crv | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | spike glycoprotein |
| -10.4 | 6vxx | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6crv | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | spike glycoprotein |
| -10.4 | 6vxx | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6w9c | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | PL pro |
| -10.4 | 6crv | DB01792 | Adenylyl-3'-5'-Phospho-Uridine-3'-Monophosphate | FZCSEXOMUJFOHQ-KPKSGTNCSA-N | spike glycoprotein |
| -10.4 | 6crv | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | nucleocapsid protein |
| -10.4 | 6m2n | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | 3CL pro |
| -10.4 | 6m2n | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | 3CL pro |
| -10.4 | 6crv | DB08005 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide | ARMFMDYRYOKSOW-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB08930 | Dolutegravir | RHWKPHLQXYSBKR-BMIGLBTASA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6crv | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | nucleocapsid protein |
| -10.4 | 6w4h | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | nsp16 - nsp10 |
| -10.4 | 6m3m | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB11750 | Clobetasol | FCSHDIVRCWTZOX-DVTGEIKXSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB15319 | VM4-037 | QGYZPMXIVNIGKA-GMAHTHKFSA-N | spike glycoprotein |
| -10.4 | 6crv | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | spike glycoprotein |
| -10.4 | 6w9c | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | PL pro |
| -10.4 | 6crv | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6vxs | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.4 | 7bv1 | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.4 | 6crv | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6crv | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | spike glycoprotein |
| -10.4 | 6crv | DB12580 | Tradipitant | CAVRKWRKTNINFF-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m2n | DB13003 | Cortivazol | RKHQGWMMUURILY-UHRZLXHJSA-N | 3CL pro |
| -10.4 | 6cs2 | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.4 | 6m2n | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | 3CL pro |
| -10.4 | 6m3m | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | spike glycoprotein |
| -10.4 | 6w9c | DB04238 | N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid | GNANSBQAIRJZPA-XZOQPEGZSA-N | PL pro |
| -10.4 | 7bv1 | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | nsp12-nsp7-nsp8 |
| -10.4 | 6vxx | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | spike glycoprotein |
| -10.4 | 6w9c | DB06176 | Romidepsin | OHRURASPPZQGQM-GCCNXGTGSA-N | PL pro |
| -10.4 | 6vxx | DB03161 | Thymidine-5'-Diphospho-Beta-D-Xylose | AJUADKZRQSBUAK-KDGZBOQCSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB11616 | Pirarubicin | KMSKQZKKOZQFFG-YXRRJAAWSA-N | nucleocapsid protein |
| -10.4 | 6m2n | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | 3CL pro |
| -10.4 | 6crv | DB09003 | Clocapramine | QAZKXHSIKKNOHH-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB01406 | Danazol | POZRVZJJTULAOH-LHZXLZLDSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB11424 | Lufenuron | PWPJGUXAGUPAHP-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6w9c | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | PL pro |
| -10.4 | 6crv | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | spike glycoprotein |
| -10.4 | 6m2n | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | 3CL pro |
| -10.4 | 6vxx | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | spike glycoprotein |
| -10.4 | 6vxx | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6w9c | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | PL pro |
| -10.4 | 6m3m | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | nucleocapsid protein |
| -10.4 | 6m71 | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -10.4 | 6m2n | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | 3CL pro |
| -10.4 | 6vxx | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6cs2 | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.4 | 6w4h | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | nsp16 - nsp10 |
| -10.4 | 6m2n | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | 3CL pro |
| -10.4 | 6crv | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | spike glycoprotein |
| -10.4 | 6cs2 | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.4 | 6cs2 | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | ACE2 area for S-protein binding |
| -10.4 | 6m3m | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | nucleocapsid protein |
| -10.4 | 6m2n | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | 3CL pro |
| -10.4 | 6crv | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | spike glycoprotein |
| -10.4 | 6crv | DB08389 | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UPTQSRGSSJRBKJ-LJQANCHMSA-N | spike glycoprotein |
| -10.4 | 6crv | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6crv | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | spike glycoprotein |
| -10.4 | 6m3m | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | nucleocapsid protein |
| -10.4 | 6m2n | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | 3CL pro |
| -10.4 | 6crv | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | spike glycoprotein |
| -10.4 | 6crv | DB08487 | 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | PRMSFVUWLBPPLY-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6m3m | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6w9c | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | PL pro |
| -10.4 | 6crv | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6crv | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | spike glycoprotein |
| -10.4 | 6crv | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6w9c | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | PL pro |
| -10.4 | 6crv | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6lzg | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.4 | 6crv | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | spike glycoprotein |
| -10.4 | 6m3m | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | nucleocapsid protein |
| -10.4 | 6cs2 | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.4 | 6crv | DB07548 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE | JXHWVKOKYDAROD-UHFFFAOYSA-N | spike glycoprotein |
| -10.4 | 6m2n | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | 3CL pro |
| -10.4 | 6m2n | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | 3CL pro |
| -10.4 | 6m3m | DB13610 | Flumedroxone | CDZJOBWKHSYNMO-SCUQKFFVSA-N | nucleocapsid protein |
| -10.4 | 6vxx | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | spike glycoprotein |
| -10.4 | 6m2n | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | 3CL pro |
| -10.4 | 6m3m | DB01003 | Cromoglicic acid | IMZMKUWMOSJXDT-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6w9c | DB04960 | Tipifarnib | PLHJCIYEEKOWNM-HHHXNRCGSA-N | PL pro |
| -10.3 | 6w9c | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | PL pro |
| -10.3 | 6crv | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | spike glycoprotein |
| -10.3 | 6lzg | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.3 | 6m3m | DB06920 | Eribaxaban | QQBKAVAGLMGMHI-WIYYLYMNSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m2n | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | 3CL pro |
| -10.3 | 6w9c | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | PL pro |
| -10.3 | 6m3m | DB07226 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE | JWZVNUNTFNELHL-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB06367 | Relacatib | BWYBBMQLUKXECQ-GIVPXCGWSA-N | nucleocapsid protein |
| -10.3 | 6lxt | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | S2 unit |
| -10.3 | 6m3m | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB00845 | Clofazimine | WDQPAMHFFCXSNU-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | spike glycoprotein |
| -10.3 | 6m3m | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | nucleocapsid protein |
| -10.3 | 6lzg | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.3 | 6m3m | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | nucleocapsid protein |
| -10.3 | 6vxx | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m2n | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | 3CL pro |
| -10.3 | 6crv | DB06945 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide | FOSWRYKPHVPIDJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB12002 | AZD-4818 | HVTUHSABWJPWNK-SFHVURJKSA-N | spike glycoprotein |
| -10.3 | 6crv | DB11645 | PF-4191834 | DVNQWYLVSNPCJZ-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB15393 | Telatinib | QFCXANHHBCGMAS-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m2n | DB15407 | Acalisib | DOCINCLJNAXZQF-LBPRGKRZSA-N | 3CL pro |
| -10.3 | 6vxx | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB04107 | [(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester | RNOYCNIZOAIUSV-LSWMGQQCSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | nucleocapsid protein |
| -10.3 | 6m2n | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | 3CL pro |
| -10.3 | 6m3m | DB08906 | Fluticasone furoate | XTULMSXFIHGYFS-VLSRWLAYSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | spike glycoprotein |
| -10.3 | 6vxx | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | spike glycoprotein |
| -10.3 | 6vxs | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | ribose phosphatase of NSP3 |
| -10.3 | 6w4h | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | nsp16 - nsp10 |
| -10.3 | 6vxx | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6vxx | DB06347 | Cenisertib | KSOVGRCOLZZTPF-QMKUDKLTSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB04575 | Quinestrol | PWZUUYSISTUNDW-VAFBSOEGSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6w4h | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.3 | 6vxx | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | spike glycoprotein |
| -10.3 | 6vxx | DB04514 | Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester | DFYLLEBFVZTKHD-VMIOUTBZSA-N | spike glycoprotein |
| -10.3 | 6crv | DB07993 | N-3-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE | LPQUIIHPUGDHJK-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m71 | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | nsp12-nsp7-nsp8 |
| -10.3 | 6w9c | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | PL pro |
| -10.3 | 6crv | DB14034 | Darglitazone | QQKNSPHAFATFNQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 7bv1 | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.3 | 6crv | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m2n | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | 3CL pro |
| -10.3 | 6m3m | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | spike glycoprotein |
| -10.3 | 6crv | DB14214 | Rose bengal lactone | IICCLYANAQEHCI-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB12426 | Bitopertin | YUUGYIUSCYNSQR-LBPRGKRZSA-N | nucleocapsid protein |
| -10.3 | 6cs2 | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | ACE2 area for S-protein binding |
| -10.3 | 6cs2 | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.3 | 6cs2 | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.3 | 6vxx | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | spike glycoprotein |
| -10.3 | 6m2n | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | 3CL pro |
| -10.3 | 6m3m | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB00547 | Desoximetasone | VWVSBHGCDBMOOT-IIEHVVJPSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB00485 | Dicloxacillin | YFAGHNZHGGCZAX-JKIFEVAISA-N | nucleocapsid protein |
| -10.3 | 6w9c | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | PL pro |
| -10.3 | 6crv | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | spike glycoprotein |
| -10.3 | 6vxx | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | nucleocapsid protein |
| -10.3 | 6vxx | DB14879 | Cefiderocol | DBPPRLRVDVJOCL-FQRUVTKNSA-N | spike glycoprotein |
| -10.3 | 6crv | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB04042 | 2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol | XLJNZONSWKENRP-VABIIVNOSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | nucleocapsid protein |
| -10.3 | 6lzg | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.3 | 6m3m | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB02360 | Bis-Napthyl Beta-Ketophosphonic Acid | OFHMUASCSJJNNA-JOCHJYFZSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6vxs | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | ribose phosphatase of NSP3 |
| -10.3 | 6vxx | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | spike glycoprotein |
| -10.3 | 6m3m | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB06786 | Halcinonide | MUQNGPZZQDCDFT-JNQJZLCISA-N | nucleocapsid protein |
| -10.3 | 6crv | DB06677 | Clazosentan | LFWCJABOXHSRGC-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6vxx | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6w9c | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | PL pro |
| -10.3 | 6vxx | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | spike glycoprotein |
| -10.3 | 7bv1 | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.3 | 6crv | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB01289 | Glisoxepide | ZKUDBRCEOBOWLF-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6vxx | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | spike glycoprotein |
| -10.3 | 6crv | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6lxt | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | S2 unit |
| -10.3 | 6m3m | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | nucleocapsid protein |
| -10.3 | 6vxx | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | nucleocapsid protein |
| -10.3 | 6m2n | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | 3CL pro |
| -10.3 | 6m2n | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | 3CL pro |
| -10.3 | 6m3m | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | nucleocapsid protein |
| -10.3 | 6m2n | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | 3CL pro |
| -10.3 | 6vxx | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | spike glycoprotein |
| -10.3 | 6w9c | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | PL pro |
| -10.3 | 6m2n | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | 3CL pro |
| -10.3 | 6m3m | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | nucleocapsid protein |
| -10.3 | 6m2n | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | 3CL pro |
| -10.3 | 6m3m | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB14889 | Derazantinib | KPJDVVCDVBFRMU-AREMUKBSSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | nucleocapsid protein |
| -10.3 | 6vxx | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | spike glycoprotein |
| -10.3 | 6crv | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | spike glycoprotein |
| -10.3 | 6crv | DB12260 | Radiprodil | GKGRZLGAQZPEHO-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | spike glycoprotein |
| -10.3 | 6vxx | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m2n | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | 3CL pro |
| -10.3 | 6vxx | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m2n | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | 3CL pro |
| -10.3 | 6w4h | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | nsp16 - nsp10 |
| -10.3 | 6m3m | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB08971 | Fluocortolone | GAKMQHDJQHZUTJ-ULHLPKEOSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB04125 | N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine | ZUWBXGHMVKDMQO-DEOSSOPVSA-N | nucleocapsid protein |
| -10.3 | 6m71 | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | nsp12-nsp7-nsp8 |
| -10.3 | 6w9c | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | PL pro |
| -10.3 | 6crv | DB01026 | Ketoconazole | XMAYWYJOQHXEEK-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB01745 | N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester | JJLGQWCKMHPBEB-DEOSSOPVSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | nucleocapsid protein |
| -10.3 | 6crv | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m2n | DB14568 | Ivosidenib | WIJZXSAJMHAVGX-DHLKQENFSA-N | 3CL pro |
| -10.3 | 6m3m | DB14652 | Clocortolone acetate | ARPLCFGLEYFDCN-CDACMRRYSA-N | nucleocapsid protein |
| -10.3 | 6w9c | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | PL pro |
| -10.3 | 6crv | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6m3m | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | nucleocapsid protein |
| -10.3 | 6m3m | DB05087 | Ganaxolone | PGTVWKLGGCQMBR-FLBATMFCSA-N | nucleocapsid protein |
| -10.3 | 6m2n | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | 3CL pro |
| -10.3 | 6crv | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | spike glycoprotein |
| -10.3 | 6lxt | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | S2 unit |
| -10.3 | 6vxx | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6crv | DB11878 | Filibuvir | SLVAPEZTBDBAPI-GDLZYMKVSA-N | spike glycoprotein |
| -10.3 | 6m2n | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | 3CL pro |
| -10.3 | 6vxx | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.3 | 6cs2 | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.3 | 6m3m | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | nucleocapsid protein |
| -10.3 | 6crv | DB04177 | 4-(3,14-Dihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | XZTUSOXSLKTKJQ-CESUGQOBSA-N | spike glycoprotein |
| -10.3 | 6cs2 | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6m2n | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | 3CL pro |
| -10.2 | 6m71 | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -10.2 | 6crv | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6lzg | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.2 | 6w9c | DB07630 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-IAGOWNOFSA-N | PL pro |
| -10.2 | 6m3m | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | spike glycoprotein |
| -10.2 | 6crv | DB12101 | CC-220 | IXZOHGPZAQLIBH-NRFANRHFSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | 3CL pro |
| -10.2 | 6vxx | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | nucleocapsid protein |
| -10.2 | 6w9c | DB03157 | N,O-Didansyl-L-Tyrosine | LUBOPDUYHWABFG-NDEPHWFRSA-N | PL pro |
| -10.2 | 6m3m | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6cs2 | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6m3m | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6cs2 | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | ACE2 area for S-protein binding |
| -10.2 | 6w9c | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | PL pro |
| -10.2 | 6m3m | DB07943 | 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol | CATQHDWESBRRQA-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m2n | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | 3CL pro |
| -10.2 | 6vxx | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6w9c | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | PL pro |
| -10.2 | 6m3m | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB04064 | Nogalaviketone | QHNJNOBWURJIEK-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6cs2 | DB01691 | Indole Naphthyridinone | VAZMNDXVXVUKFY-JXMROGBWSA-N | ACE2 area for S-protein binding |
| -10.2 | 6crv | DB07031 | 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid | AANFHDFOMFRLLR-LJQANCHMSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB12272 | Vidupiprant | PFWVGKROPKKEDW-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB01100 | Pimozide | YVUQSNJEYSNKRX-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6w9c | DB15297 | Petesicatib | KXAAIORSMACJSI-AEFFLSMTSA-N | PL pro |
| -10.2 | 6w9c | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | PL pro |
| -10.2 | 6vxx | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | spike glycoprotein |
| -10.2 | 6m3m | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6w4h | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | nsp16 - nsp10 |
| -10.2 | 6m3m | DB11622 | Dehydrocholic acid | OHXPGWPVLFPUSM-KLRNGDHRSA-N | nucleocapsid protein |
| -10.2 | 6m2n | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6vxx | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6w9c | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | PL pro |
| -10.2 | 6m3m | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | nucleocapsid protein |
| -10.2 | 6vxx | DB08822 | Azilsartan medoxomil | QJFSABGVXDWMIW-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | spike glycoprotein |
| -10.2 | 6cs2 | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6vxx | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB08057 | N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine | VWJPPYCULHDHBB-HNNXBMFYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB13003 | Cortivazol | RKHQGWMMUURILY-UHRZLXHJSA-N | nucleocapsid protein |
| -10.2 | 6w9c | DB12165 | Presatovir | GOFXWTVKPWJNGD-UWJYYQICSA-N | PL pro |
| -10.2 | 6w9c | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | PL pro |
| -10.2 | 6cs2 | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6m3m | DB00941 | Hexafluronium | HDZAQYPYABGTCL-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6cs2 | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6cs2 | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6crv | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | spike glycoprotein |
| -10.2 | 6w9c | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | PL pro |
| -10.2 | 6vxx | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | spike glycoprotein |
| -10.2 | 6vxx | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | spike glycoprotein |
| -10.2 | 6crv | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB08444 | 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile | YYGZQXRLQMFHDH-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6w9c | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | PL pro |
| -10.2 | 7bv1 | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | nsp12-nsp7-nsp8 |
| -10.2 | 6m3m | DB05936 | CVT-6883 | KOYXXLLNCXWUNF-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB01067 | Glipizide | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6crv | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6w4h | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | nsp16 - nsp10 |
| -10.2 | 6m3m | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | nucleocapsid protein |
| -10.2 | 6m2n | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | 3CL pro |
| -10.2 | 6vxx | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m71 | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | nsp12-nsp7-nsp8 |
| -10.2 | 6cs2 | DB08883 | Perampanel | PRMWGUBFXWROHD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6w9c | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | PL pro |
| -10.2 | 6m3m | DB12260 | Radiprodil | GKGRZLGAQZPEHO-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | spike glycoprotein |
| -10.2 | 6m3m | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | spike glycoprotein |
| -10.2 | 6w9c | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | PL pro |
| -10.2 | 6cs2 | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | ACE2 area for S-protein binding |
| -10.2 | 6vxx | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | spike glycoprotein |
| -10.2 | 6crv | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | nucleocapsid protein |
| -10.2 | 6vxx | DB02217 | Dpb-T | WTZFKHNHHRPQOU-WSMBLCCSSA-N | spike glycoprotein |
| -10.2 | 6w9c | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | PL pro |
| -10.2 | 6crv | DB12467 | TU-100 | KAYRGFYBCCETPE-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6w9c | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | PL pro |
| -10.2 | 6w9c | DB01933 | 7-Hydroxystaurosporine | PBCZSGKMGDDXIJ-HQCWYSJUSA-N | PL pro |
| -10.2 | 6w9c | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | PL pro |
| -10.2 | 6m3m | DB00223 | Diflorasone | WXURHACBFYSXBI-XHIJKXOTSA-N | nucleocapsid protein |
| -10.2 | 6lxt | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | S2 unit |
| -10.2 | 6vxs | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.2 | 6m3m | DB06409 | Morphine glucuronide | GNJCUHZOSOYIEC-GAROZEBRSA-N | nucleocapsid protein |
| -10.2 | 6m2n | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | 3CL pro |
| -10.2 | 6m71 | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.2 | 6m2n | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | 3CL pro |
| -10.2 | 6m2n | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | 3CL pro |
| -10.2 | 6m2n | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | 3CL pro |
| -10.2 | 6cs2 | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6vxs | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.2 | 6lxt | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | S2 unit |
| -10.2 | 6m2n | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6vxx | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB11892 | Prulifloxacin | PWNMXPDKBYZCOO-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB14657 | Paramethasone acetate | HYRKAAMZBDSJFJ-LFDBJOOHSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6lxt | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | S2 unit |
| -10.2 | 6cs2 | DB13164 | Olmutinib | FDMQDKQUTRLUBU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6vxx | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB11984 | Letaxaban | GEHAEMCVKDPMKO-HXUWFJFHSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB13491 | Fluperolone | SLVCCRYLKTYUQP-DVTGEIKXSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB01216 | Finasteride | DBEPLOCGEIEOCV-WSBQPABSSA-N | nucleocapsid protein |
| -10.2 | 6w4h | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.2 | 6vxx | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB05327 | Ranirestat | QCVNMNYRNIMDKV-QGZVFWFLSA-N | spike glycoprotein |
| -10.2 | 6crv | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB01289 | Glisoxepide | ZKUDBRCEOBOWLF-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB13164 | Olmutinib | FDMQDKQUTRLUBU-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6vxx | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | spike glycoprotein |
| -10.2 | 6crv | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB03907 | N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-Benzamide | UHHBFOLQOQSPLU-WGRQDFERSA-N | 3CL pro |
| -10.2 | 6lxt | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | S2 unit |
| -10.2 | 6crv | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB01234 | Dexamethasone | UREBDLICKHMUKA-CXSFZGCWSA-N | nucleocapsid protein |
| -10.2 | 6m2n | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | 3CL pro |
| -10.2 | 6w9c | DB08867 | Ulipristal | HKDLNTKNLJPAIY-WKWWZUSTSA-N | PL pro |
| -10.2 | 6w9c | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | PL pro |
| -10.2 | 6cs2 | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6crv | DB15460 | AGG-523 | JWQMTWCFNZSLNR-DEOSSOPVSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6m2n | DB12774 | AZD-8055 | KVLFRAWTRWDEDF-IRXDYDNUSA-N | 3CL pro |
| -10.2 | 6m3m | DB06518 | R-1487 | KKKRKRMVJRHDMG-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6vxx | DB07435 | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | GFANZDFKCCJYRF-NSISKUIASA-N | spike glycoprotein |
| -10.2 | 6vxx | DB15092 | LY-2624803 | UEFWDVMEDFCHGW-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6m2n | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | 3CL pro |
| -10.2 | 6m3m | DB03671 | 4-(3,12,14-Trihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | SHIBSTMRCDJXLN-KCZCNTNESA-N | nucleocapsid protein |
| -10.2 | 6crv | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | spike glycoprotein |
| -10.2 | 6crv | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB14640 | Isoflupredone acetate | ZOCUOMKMBMEYQV-GSLJADNHSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB12562 | Setipiprant | IHAXLPDVOWLUOS-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB12598 | Nafamostat | MQQNFDZXWVTQEH-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6cs2 | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | ACE2 area for S-protein binding |
| -10.2 | 6crv | DB06717 | Fosaprepitant | BARDROPHSZEBKC-OITMNORJSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6vxx | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | spike glycoprotein |
| -10.2 | 6m3m | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB11751 | Cabotegravir | WCWSTNLSLKSJPK-LKFCYVNXSA-N | nucleocapsid protein |
| -10.2 | 6vxx | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | 3CL pro |
| -10.2 | 6m3m | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | nucleocapsid protein |
| -10.2 | 6vxx | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB08407 | PLATENSIMYCIN | CSOMAHTTWTVBFL-OFBLZTNGSA-N | spike glycoprotein |
| -10.2 | 6crv | DB15246 | Salvianolic acid A | YMGFTDKNIWPMGF-UCPJVGPRSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | nucleocapsid protein |
| -10.2 | 6w9c | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | PL pro |
| -10.2 | 6m3m | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | spike glycoprotein |
| -10.2 | 6cs2 | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | ACE2 area for S-protein binding |
| -10.2 | 6crv | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6w9c | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | PL pro |
| -10.2 | 6m2n | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | 3CL pro |
| -10.2 | 6m3m | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6m2n | DB15169 | H3B-6527 | MBWRLLRCTIYXDW-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6crv | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | spike glycoprotein |
| -10.2 | 6crv | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | spike glycoprotein |
| -10.2 | 6vxs | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.2 | 6m2n | DB12006 | BMS-906024 | AYOUDDAETNMCBW-GSHUGGBRSA-N | 3CL pro |
| -10.2 | 6w9c | DB15282 | Fluorofuranylnorprogesterone F-18 | VJKRBRUNEOHPBS-JQKUZGBFSA-N | PL pro |
| -10.2 | 6crv | DB04232 | N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide | DNGGPLKVDUPXFN-GOSISDBHSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6lxt | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | S2 unit |
| -10.2 | 6vxx | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | nucleocapsid protein |
| -10.2 | 7bv1 | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.2 | 6m3m | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | nucleocapsid protein |
| -10.2 | 6m2n | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | 3CL pro |
| -10.2 | 6crv | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | spike glycoprotein |
| -10.2 | 6lxt | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | S2 unit |
| -10.2 | 6crv | DB08912 | Dabrafenib | BFSMGDJOXZAERB-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB04983 | Denufosol | FPNPSEMJLALQSA-MIYUEGBISA-N | 3CL pro |
| -10.2 | 6crv | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | spike glycoprotein |
| -10.2 | 6crv | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | spike glycoprotein |
| -10.2 | 7bv1 | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.2 | 7bv1 | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -10.2 | 6cs2 | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | ACE2 area for S-protein binding |
| -10.2 | 6m3m | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | nucleocapsid protein |
| -10.2 | 6crv | DB00972 | Azelastine | MBUVEWMHONZEQD-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6vxx | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB04301 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate | ZLAHDRAQCSQPOC-UHFFFAOYSA-P | nucleocapsid protein |
| -10.2 | 6w4h | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | nsp16 - nsp10 |
| -10.2 | 6m2n | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | 3CL pro |
| -10.2 | 6w9c | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | PL pro |
| -10.2 | 6vxx | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | 3CL pro |
| -10.2 | 6w9c | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | PL pro |
| -10.2 | 6crv | DB05667 | Levoketoconazole | XMAYWYJOQHXEEK-ZEQKJWHPSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB00990 | Exemestane | BFYIZQONLCFLEV-DAELLWKTSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6vxx | DB13997 | Baloxavir marboxil | RZVPBGBYGMDSBG-GGAORHGYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB13158 | Clobetasone | XXIFVOHLGBURIG-OZCCCYNHSA-N | nucleocapsid protein |
| -10.2 | 6m3m | DB01047 | Fluocinonide | WJOHZNCJWYWUJD-IUGZLZTKSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB07779 | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE | ANQHSFFUNMTTRS-MOPGFXCFSA-N | spike glycoprotein |
| -10.2 | 6w4h | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.2 | 6vxx | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | 3CL pro |
| -10.2 | 6vxs | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.2 | 6vxx | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | spike glycoprotein |
| -10.2 | 6w9c | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | PL pro |
| -10.2 | 6vxx | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB12055 | MK-0767 | ORZMUVMQJPGFOM-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB07450 | (R)-minalrestat | BMHZAHGTGIZZCT-LJQANCHMSA-N | nucleocapsid protein |
| -10.2 | 6vxx | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | spike glycoprotein |
| -10.2 | 6m3m | DB12515 | 9-aminocamptothecin | FUXVKZWTXQUGMW-FQEVSTJZSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB15281 | Ravoxertinib | RZUOCXOYPYGSKL-GOSISDBHSA-N | spike glycoprotein |
| -10.2 | 6lxt | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | S2 unit |
| -10.2 | 6m3m | DB00443 | Betamethasone | UREBDLICKHMUKA-DVTGEIKXSA-N | nucleocapsid protein |
| -10.2 | 6crv | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | spike glycoprotein |
| -10.2 | 6cs2 | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6crv | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | spike glycoprotein |
| -10.2 | 6crv | DB06916 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE | LBCGUKCXRVUULK-QGZVFWFLSA-N | spike glycoprotein |
| -10.2 | 6cs2 | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.2 | 6crv | DB05611 | Apilimod | HSKAZIJJKRAJAV-KOEQRZSOSA-N | spike glycoprotein |
| -10.2 | 6crv | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6crv | DB04244 | (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide | YCDHZDINQZLSRR-DNQXCXABSA-N | spike glycoprotein |
| -10.2 | 6crv | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | spike glycoprotein |
| -10.2 | 6m2n | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | 3CL pro |
| -10.2 | 6cs2 | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | ACE2 area for S-protein binding |
| -10.2 | 6m3m | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | nucleocapsid protein |
| -10.2 | 6w9c | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | PL pro |
| -10.1 | 6m3m | DB12553 | Fluocinolone | UUOUOERPONYGOS-CLCRDYEYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB04859 | Zanapezil | PMBLXLOXUGVTGB-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | 3CL pro |
| -10.1 | 6vxx | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | nucleocapsid protein |
| -10.1 | 6m2n | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | 3CL pro |
| -10.1 | 6w9c | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | PL pro |
| -10.1 | 6w9c | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | PL pro |
| -10.1 | 6m2n | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6m3m | DB07204 | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE | DQIXTEDFNFZMCM-SFHVURJKSA-N | nucleocapsid protein |
| -10.1 | 6m2n | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | 3CL pro |
| -10.1 | 6crv | DB02732 | Nicotinamide Adenine Dinucleotide Acetone Adduct | SGHBFOOIAAJJMI-YDKVLQLQSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | nucleocapsid protein |
| -10.1 | 6w9c | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | PL pro |
| -10.1 | 6m3m | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | nucleocapsid protein |
| -10.1 | 6w9c | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | PL pro |
| -10.1 | 6crv | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6crv | DB14929 | Elsulfavirine | ULTDEARCBRNRGR-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6cs2 | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6m3m | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6vxx | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | PL pro |
| -10.1 | 6m3m | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | nucleocapsid protein |
| -10.1 | 6w9c | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | PL pro |
| -10.1 | 6w9c | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | PL pro |
| -10.1 | 6m3m | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | nucleocapsid protein |
| -10.1 | 6w9c | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | PL pro |
| -10.1 | 6vxx | DB12412 | Gemigliptin | ZWPRRQZNBDYKLH-VIFPVBQESA-N | spike glycoprotein |
| -10.1 | 6m2n | DB12307 | Foretinib | CXQHYVUVSFXTMY-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6w9c | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | PL pro |
| -10.1 | 6cs2 | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6vxx | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6m2n | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | 3CL pro |
| -10.1 | 6crv | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6m3m | DB00796 | Candesartan cilexetil | GHOSNRCGJFBJIB-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6cs2 | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6crv | DB12420 | Diazepinomicin | SALVHVNECODMJP-GNUCVDFRSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | nucleocapsid protein |
| -10.1 | 7bv1 | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6m2n | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6crv | DB08881 | Vemurafenib | GPXBXXGIAQBQNI-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | PL pro |
| -10.1 | 6crv | DB12682 | Mubritinib | ZTFBIUXIQYRUNT-MDWZMJQESA-N | spike glycoprotein |
| -10.1 | 6m3m | DB14634 | Fluprednidene acetate | DEFOZIFYUBUHHU-IYQKUMFPSA-N | nucleocapsid protein |
| -10.1 | 6m3m | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | nucleocapsid protein |
| -10.1 | 6m71 | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6m3m | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | nucleocapsid protein |
| -10.1 | 6w9c | DB06920 | Eribaxaban | QQBKAVAGLMGMHI-WIYYLYMNSA-N | PL pro |
| -10.1 | 6w9c | DB14568 | Ivosidenib | WIJZXSAJMHAVGX-DHLKQENFSA-N | PL pro |
| -10.1 | 6w4h | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.1 | 6vxx | DB02194 | 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | ULLMMKZQNNBLRN-SANMLTNESA-N | spike glycoprotein |
| -10.1 | 6crv | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6m2n | DB12805 | Ataciguat | PQHLRGARXNPFCF-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6w9c | DB06364 | XR5944 | SFOADSRLCHRTKT-UHFFFAOYSA-N | PL pro |
| -10.1 | 6crv | DB01148 | Flavoxate | SPIUTQOUKAMGCX-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6crv | DB01177 | Idarubicin | XDXDZDZNSLXDNA-TZNDIEGXSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB12721 | RO-5028442 | QZXVLRCMAHJVIP-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6vxx | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | spike glycoprotein |
| -10.1 | 6m3m | DB14669 | Betamethasone phosphate | VQODGRNSFPNSQE-DVTGEIKXSA-N | nucleocapsid protein |
| -10.1 | 6w9c | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | PL pro |
| -10.1 | 6m2n | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | 3CL pro |
| -10.1 | 6crv | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | PL pro |
| -10.1 | 6crv | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB08448 | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol | PCBWLKUEKANDCL-INIZCTEOSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | PL pro |
| -10.1 | 6crv | DB04960 | Tipifarnib | PLHJCIYEEKOWNM-HHHXNRCGSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | 3CL pro |
| -10.1 | 7bv1 | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6vxx | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6crv | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB05465 | Tandutinib | UXXQOJXBIDBUAC-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6lxt | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | S2 unit |
| -10.1 | 6m2n | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | 3CL pro |
| -10.1 | 6vxx | DB03363 | 3-Acetylpyridine Adenine Dinucleotide | KPVQNXLUPNWQHM-RBEMOOQDSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB12798 | Relenopride | KGMMSPVVHZGPHL-NRFANRHFSA-N | spike glycoprotein |
| -10.1 | 6vxx | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | spike glycoprotein |
| -10.1 | 6crv | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | spike glycoprotein |
| -10.1 | 6vxx | DB12394 | Eleclazine | YNUAEEJQYHYLMS-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6cs2 | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6m2n | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | 3CL pro |
| -10.1 | 6m2n | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6w9c | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | PL pro |
| -10.1 | 6m3m | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6crv | DB04971 | Reglitazar | QBQLYIISSRXYKL-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m71 | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6crv | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | PL pro |
| -10.1 | 6w9c | DB02668 | Je-2147, Ag1776, Kni-764 | CUFQBQOBLVLKRF-RZDMPUFOSA-N | PL pro |
| -10.1 | 6crv | DB07991 | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | APLJSSOXDWUNGV-GOSISDBHSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB13941 | Piperaquine | UCRHFBCYFMIWHC-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6m2n | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6w9c | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | PL pro |
| -10.1 | 6w9c | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | PL pro |
| -10.1 | 6m3m | DB01134 | Desoxycorticosterone pivalate | VVOIQBFMTVCINR-WWMZEODYSA-N | nucleocapsid protein |
| -10.1 | 6m3m | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6m2n | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6w9c | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | PL pro |
| -10.1 | 6m2n | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | 3CL pro |
| -10.1 | 6m3m | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB09233 | Cronidipine | CNIJVNPIIHWRRP-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | nucleocapsid protein |
| -10.1 | 6m2n | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6m3m | DB03460 | Violaxanthin | SZCBXWMUOPQSOX-WVJDLNGLSA-N | nucleocapsid protein |
| -10.1 | 6cs2 | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6m71 | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6m2n | DB03186 | U-Pi-a-Pi | JIAJERGOUFOENU-LNAOLWRRSA-N | 3CL pro |
| -10.1 | 6vxx | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | spike glycoprotein |
| -10.1 | 6cs2 | DB14993 | Pyrotinib | SADXACCFNXBCFY-IYNHSRRRSA-N | ACE2 area for S-protein binding |
| -10.1 | 6m3m | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | nucleocapsid protein |
| -10.1 | 6w9c | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | PL pro |
| -10.1 | 6cs2 | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6crv | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6vxs | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.1 | 6m3m | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | nucleocapsid protein |
| -10.1 | 6m3m | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB14669 | Betamethasone phosphate | VQODGRNSFPNSQE-DVTGEIKXSA-N | spike glycoprotein |
| -10.1 | 6vxx | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | spike glycoprotein |
| -10.1 | 6crv | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6crv | DB07778 | FAMOXADONE | PCCSBWNGDMYFCW-QFIPXVFZSA-N | spike glycoprotein |
| -10.1 | 6cs2 | DB13371 | Difenpiramide | PWHROYKAGRUWDQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6vxx | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB09063 | Ceritinib | VERWOWGGCGHDQE-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6crv | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | 3CL pro |
| -10.1 | 6crv | DB12394 | Eleclazine | YNUAEEJQYHYLMS-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6vxx | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6vxx | DB07765 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | UKCFUFHREWUXJJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | 3CL pro |
| -10.1 | 6m2n | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | 3CL pro |
| -10.1 | 6m3m | DB12041 | Mapracorat | VJGFOYBQOIPQFY-XMMPIXPASA-N | nucleocapsid protein |
| -10.1 | 6vxx | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 7bv1 | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6vxx | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB06117 | 1alpha,24S-Dihydroxyvitamin D2 | ODZFJAXAEXQSKL-WRJREGAQSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6crv | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB06367 | Relacatib | BWYBBMQLUKXECQ-GIVPXCGWSA-N | 3CL pro |
| -10.1 | 7bv1 | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6vxs | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.1 | 6vxx | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w4h | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.1 | 6m2n | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | 3CL pro |
| -10.1 | 6m3m | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6m2n | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6vxx | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | spike glycoprotein |
| -10.1 | 6crv | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB08906 | Fluticasone furoate | XTULMSXFIHGYFS-VLSRWLAYSA-N | 3CL pro |
| -10.1 | 6cs2 | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6m3m | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | nucleocapsid protein |
| -10.1 | 6m3m | DB00620 | Triamcinolone | GFNANZIMVAIWHM-OBYCQNJPSA-N | nucleocapsid protein |
| -10.1 | 6m2n | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | 3CL pro |
| -10.1 | 6cs2 | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6w9c | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | PL pro |
| -10.1 | 6crv | DB04204 | [(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid | SRHSAABKYJDBDV-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB02498 | Carba-Nicotinamide-Adenine-Dinucleotide | DGPLSUKWXXSBCU-VGXGLJSLSA-O | 3CL pro |
| -10.1 | 7bv1 | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6m3m | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB02338 | Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate | ACFIXJIJDZMPPO-NNYOXOHSSA-N | spike glycoprotein |
| -10.1 | 6m71 | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6crv | DB03893 | Thionicotinamide-Adenine-Dinucleotide | UQYPZLRUJKCREN-NNYOXOHSSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6m3m | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB06834 | N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide | XZRYCTLOGNCQDG-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | 3CL pro |
| -10.1 | 6cs2 | DB12270 | Losmapimod | KKYABQBFGDZVNQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6w4b | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | nsp9 |
| -10.1 | 6m3m | DB13756 | Peruvoside | PMTSPAGBAFCORP-HBUONDEYSA-N | nucleocapsid protein |
| -10.1 | 6m3m | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | PL pro |
| -10.1 | 6vxx | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | PL pro |
| -10.1 | 6crv | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | spike glycoprotein |
| -10.1 | 6vxx | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB03932 | LFA703 | WPVRNXUYVXQXPY-YFAYRSKXSA-N | PL pro |
| -10.1 | 6m3m | DB01030 | Topotecan | UCFGDBYHRUNTLO-QHCPKHFHSA-N | nucleocapsid protein |
| -10.1 | 6vxx | DB04872 | Osanetant | DZOJBGLFWINFBF-UMSFTDKQSA-N | spike glycoprotein |
| -10.1 | 6crv | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6crv | DB06886 | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL | MACLRJNEKXUAJK-YDLSIGKMSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6vxx | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | spike glycoprotein |
| -10.1 | 6vxs | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.1 | 6crv | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6cs2 | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6m2n | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | 3CL pro |
| -10.1 | 6m3m | DB13954 | Estradiol cypionate | UOACKFBJUYNSLK-XRKIENNPSA-N | nucleocapsid protein |
| -10.1 | 7bv1 | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6m3m | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB12858 | LY-377604 | RBSGUQYXRDKPAE-QFIPXVFZSA-N | spike glycoprotein |
| -10.1 | 6crv | DB02008 | 1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine | JHSHXKJSPVHPCJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | PL pro |
| -10.1 | 6crv | DB06248 | Amelubant | SBVYURPQULDJTI-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB04882 | Edotecarin | QMVPQBFHUJZJCS-NTKFZFFISA-N | PL pro |
| -10.1 | 6crv | DB02519 | Indirubin-5-Sulphonate | IHBOEHLUIBMBMY-YPKPFQOOSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | 3CL pro |
| -10.1 | 6crv | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m71 | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6m2n | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6crv | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m71 | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 7bv1 | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6m3m | DB06959 | (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine | BUCZDJYEOAQTHL-KEKNWZKVSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB03141 | 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril | UYUWNNRWESUYOB-FIRIVFDPSA-N | spike glycoprotein |
| -10.1 | 6cs2 | DB07993 | N-3-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE | LPQUIIHPUGDHJK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6m2n | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6m2n | DB14879 | Cefiderocol | DBPPRLRVDVJOCL-FQRUVTKNSA-N | 3CL pro |
| -10.1 | 6cs2 | DB07665 | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | STHCHQXQLDMISY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.1 | 6vxs | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.1 | 6m3m | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB00838 | Clocortolone | YMTMADLUXIRMGX-RFPWEZLHSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6m2n | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | 3CL pro |
| -10.1 | 6m2n | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | 3CL pro |
| -10.1 | 6m3m | DB09215 | Droxicam | OEHFRZLKGRKFAS-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6vxx | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | 3CL pro |
| -10.1 | 6crv | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9c | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | PL pro |
| -10.1 | 6m2n | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6crv | DB07008 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | XPXGYINSBORUMM-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6m3m | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6crv | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | nucleocapsid protein |
| -10.1 | 6w9c | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | PL pro |
| -10.1 | 6vxx | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | spike glycoprotein |
| -10.1 | 6crv | DB15145 | Ziresovir | GAAICKUTDBZCMT-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6m2n | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | 3CL pro |
| -10.1 | 6w9c | DB08520 | (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE | VUCSBBBCFXBFFY-IBGZPJMESA-N | PL pro |
| -10.1 | 6crv | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | spike glycoprotein |
| -10.1 | 6crv | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | spike glycoprotein |
| -10.1 | 6m3m | DB00687 | Fludrocortisone | AAXVEMMRQDVLJB-BULBTXNYSA-N | nucleocapsid protein |
| -10.1 | 6m2n | DB01830 | {4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid | SPSGYTWOIGAABK-DQEYMECFSA-N | 3CL pro |
| -10.1 | 6m3m | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | nucleocapsid protein |
| -10.1 | 6m2n | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | 3CL pro |
| -10.1 | 6vxx | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 6w9q | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -10.1 | 6m2n | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | 3CL pro |
| -10.1 | 6m3m | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | nucleocapsid protein |
| -10.1 | 2fxp | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | HR2 |
| -10.1 | 6cs2 | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | ACE2 area for S-protein binding |
| -10.1 | 6cs2 | DB08197 | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime | KYIXUSLGFINPTC-WVFAEZDRSA-N | ACE2 area for S-protein binding |
| -10.1 | 6crv | DB07369 | N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | YMJLSOJLEXWATP-UHFFFAOYSA-N | spike glycoprotein |
| -10.1 | 7bv1 | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | nsp12-nsp7-nsp8 |
| -10.1 | 6m3m | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | nucleocapsid protein |
| -10.1 | 6vxs | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.1 | 6w9c | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | PL pro |
| -10.0 | 6crv | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | spike glycoprotein |
| -10.0 | 6crv | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB07839 | N-2-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | VFNWTXUFNNOQHD-QFIPXVFZSA-N | spike glycoprotein |
| -10.0 | 6w9c | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | PL pro |
| -10.0 | 6cs2 | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | ACE2 area for S-protein binding |
| -10.0 | 6vxx | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB01384 | Paramethasone | MKPDWECBUAZOHP-AFYJWTTESA-N | nucleocapsid protein |
| -10.0 | 6crv | DB13101 | 4SC-202 | PRXXYMVLYKJITB-IZZDOVSWSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB07844 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE | PHLKBODTBJLXRD-WFASDCNBSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB15393 | Telatinib | QFCXANHHBCGMAS-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6cs2 | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -10.0 | 6lzg | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.0 | 6w4h | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.0 | 6lzg | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.0 | 6w9q | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | nsp9 RNA-replicase |
| -10.0 | 6crv | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | 3CL pro |
| -10.0 | 6vxx | DB14866 | Amcasertib | QDWKGEFGLQMDAM-ULJHMMPZSA-N | spike glycoprotein |
| -10.0 | 6w9c | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | PL pro |
| -10.0 | 6crv | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | spike glycoprotein |
| -10.0 | 6crv | DB00496 | Darifenacin | HXGBXQDTNZMWGS-RUZDIDTESA-N | spike glycoprotein |
| -10.0 | 6crv | DB14625 | Meprednisone acetate | RZAMUHXEOMZXET-ABQXZQTJSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB14512 | Mometasone furoate | WOFMFGQZHJDGCX-ZULDAHANSA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | PL pro |
| -10.0 | 6crv | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | nucleocapsid protein |
| -10.0 | 6vxs | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -10.0 | 6m2n | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6crv | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | spike glycoprotein |
| -10.0 | 6m71 | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6crv | DB11934 | Epelsiban | UWHCWRQFNKUYCG-QUZACWSFSA-N | spike glycoprotein |
| -10.0 | 6crv | DB15266 | TAK-580 | VWMJHAFYPMOMGF-ZCFIWIBFSA-N | spike glycoprotein |
| -10.0 | 6w4h | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.0 | 6m3m | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB13094 | Pruvanserin | AQRLDDAFYYAIJP-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6m3m | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | 3CL pro |
| -10.0 | 6crv | DB09199 | Netoglitazone | PKWDZWYVIHVNKS-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB00641 | Simvastatin | RYMZZMVNJRMUDD-HGQWONQESA-N | spike glycoprotein |
| -10.0 | 6crv | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | spike glycoprotein |
| -10.0 | 6cs2 | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | ACE2 area for S-protein binding |
| -10.0 | 6m2n | DB09238 | Manidipine | ANEBWFXPVPTEET-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6m71 | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6crv | DB08493 | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID | AKWKBACKRMYPRV-NQIIRXRSSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB06624 | Taranabant | QLYKJCMUNUWAGO-GAJHUEQPSA-N | spike glycoprotein |
| -10.0 | 6w9c | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | PL pro |
| -10.0 | 6vxx | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | spike glycoprotein |
| -10.0 | 6crv | DB01871 | [1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester | OACUXIVGLLCILS-ZEQRLZLVSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6crv | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB02567 | PD173955 | VAARYSWULJUGST-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB07124 | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | CCIACUJJBPSOHE-KRWDZBQOSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6w4h | DB03157 | N,O-Didansyl-L-Tyrosine | LUBOPDUYHWABFG-NDEPHWFRSA-N | nsp16 - nsp10 |
| -10.0 | 6w9c | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | PL pro |
| -10.0 | 6m3m | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB13756 | Peruvoside | PMTSPAGBAFCORP-HBUONDEYSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6crv | DB08197 | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime | KYIXUSLGFINPTC-WVFAEZDRSA-N | spike glycoprotein |
| -10.0 | 6cs2 | DB12547 | LY-2886721 | NIDRNVHMMDAAIK-YPMLDQLKSA-N | ACE2 area for S-protein binding |
| -10.0 | 6vxs | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | ribose phosphatase of NSP3 |
| -10.0 | 6vxx | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | spike glycoprotein |
| -10.0 | 7bv1 | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6m3m | DB00396 | Progesterone | RJKFOVLPORLFTN-LEKSSAKUSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB13664 | Formocortal | QNXUUBBKHBYRFW-QWAPGEGQSA-N | nucleocapsid protein |
| -10.0 | 6lxt | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | S2 unit |
| -10.0 | 6m3m | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB11529 | Melengestrol | OKHAOBQKCCIRLO-IBVJIVQJSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB08930 | Dolutegravir | RHWKPHLQXYSBKR-BMIGLBTASA-N | spike glycoprotein |
| -10.0 | 6m2n | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | 3CL pro |
| -10.0 | 6m3m | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB00910 | Paricalcitol | BPKAHTKRCLCHEA-UBFJEZKGSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB11522 | Isoflupredone | WAIJIHDWAKJCBX-BULBTXNYSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB02498 | Carba-Nicotinamide-Adenine-Dinucleotide | DGPLSUKWXXSBCU-VGXGLJSLSA-O | spike glycoprotein |
| -10.0 | 6w9c | DB12130 | Lorlatinib | IIXWYSCJSQVBQM-LLVKDONJSA-N | PL pro |
| -10.0 | 6crv | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB00823 | Ethynodiol diacetate | ONKUMRGIYFNPJW-KIEAKMPYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB05983 | Bardoxolone methyl | WPTTVJLTNAWYAO-KPOXMGGZSA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6m3m | DB07607 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | RXDZANYWRNIAOR-HHHXNRCGSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB15121 | AT-001 | YRGPAXAVTDMKDK-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB08962 | Glibornuride | RMTYNAPTNBJHQI-LLDVTBCESA-N | spike glycoprotein |
| -10.0 | 6m3m | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB14681 | Cortisone | MFYSYFVPBJMHGN-ZPOLXVRWSA-N | spike glycoprotein |
| -10.0 | 6cs2 | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.0 | 6m3m | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6lxt | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | S2 unit |
| -10.0 | 6m3m | DB08407 | PLATENSIMYCIN | CSOMAHTTWTVBFL-OFBLZTNGSA-N | nucleocapsid protein |
| -10.0 | 6cs2 | DB06717 | Fosaprepitant | BARDROPHSZEBKC-OITMNORJSA-N | ACE2 area for S-protein binding |
| -10.0 | 6w4h | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | nsp16 - nsp10 |
| -10.0 | 6crv | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB14673 | Flurandrenolide acetate | AUDPKCCPWYXNEV-XTLNBZDDSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB04849 | Cediranib | XXJWYDDUDKYVKI-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | spike glycoprotein |
| -10.0 | 6w9c | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | PL pro |
| -10.0 | 6vxx | DB00997 | Doxorubicin | AOJJSUZBOXZQNB-TZSSRYMLSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | 3CL pro |
| -10.0 | 6vxx | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB09053 | Ibrutinib | XYFPWWZEPKGCCK-GOSISDBHSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB08446 | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile | OHQMEDBYNUAVNE-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB07143 | D-phenylalanyl-N-benzyl-L-prolinamide | MEPJWLFTTFHOQO-MOPGFXCFSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | spike glycoprotein |
| -10.0 | 6w9c | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | PL pro |
| -10.0 | 6w9c | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | PL pro |
| -10.0 | 6m2n | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | 3CL pro |
| -10.0 | 6crv | DB04841 | Flunarizine | SMANXXCATUTDDT-QPJJXVBHSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | spike glycoprotein |
| -10.0 | 6crv | DB14723 | Larotrectinib | NYNZQNWKBKUAII-KBXCAEBGSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6m2n | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6cs2 | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | ACE2 area for S-protein binding |
| -10.0 | 6vxx | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB07809 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | MBJYEMUMDMGQQC-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6cs2 | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -10.0 | 6m2n | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | 3CL pro |
| -10.0 | 7bv1 | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6crv | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB08459 | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | SVMHTBVIPYVDIL-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB01933 | 7-Hydroxystaurosporine | PBCZSGKMGDDXIJ-HQCWYSJUSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB01336 | Metocurine | JFXBEKISTKFVAB-AJQTZOPKSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB13806 | Linopirdine | YEJCDKJIEMIWRQ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB06747 | ginkgolide-M | KDKROYXEHCYLJQ-FJFAJXJPSA-N | PL pro |
| -10.0 | 6vxx | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB12467 | TU-100 | KAYRGFYBCCETPE-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6crv | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | spike glycoprotein |
| -10.0 | 6m71 | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6m2n | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | 3CL pro |
| -10.0 | 6m3m | DB08973 | Fluclorolone acetonide | NJNWEGFJCGYWQT-VSXGLTOVSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | 3CL pro |
| -10.0 | 6m2n | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | 3CL pro |
| -10.0 | 6w9c | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | PL pro |
| -10.0 | 6crv | DB12419 | HSD-016 | ZWASRJHIEFYJGL-BFUOFWGJSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB03005 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | ISUOMOOYAOQQPZ-UHFFFAOYSA-O | spike glycoprotein |
| -10.0 | 6vxx | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | spike glycoprotein |
| -10.0 | 6crv | DB04020 | 4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol | AIBKIFHSQQYXLG-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | 3CL pro |
| -10.0 | 6cs2 | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.0 | 6w9c | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | PL pro |
| -10.0 | 6crv | DB00421 | Spironolactone | LXMSZDCAJNLERA-ZHYRCANASA-N | spike glycoprotein |
| -10.0 | 6m3m | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB11859 | Brexanolone | AURFZBICLPNKBZ-SYBPFIFISA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB02241 | 8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | HOSWCJDTHOAORT-SANMLTNESA-N | PL pro |
| -10.0 | 6crv | DB00253 | Medrysone | GZENKSODFLBBHQ-ILSZZQPISA-N | spike glycoprotein |
| -10.0 | 6m2n | DB09054 | Idelalisib | IFSDAJWBUCMOAH-HNNXBMFYSA-N | 3CL pro |
| -10.0 | 6m3m | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | nucleocapsid protein |
| -10.0 | 6lxt | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | S2 unit |
| -10.0 | 6m3m | DB13919 | Candesartan | HTQMVQVXFRQIKW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6w4h | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.0 | 6vxx | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | 3CL pro |
| -10.0 | 6w9c | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | PL pro |
| -10.0 | 6w9c | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | PL pro |
| -10.0 | 6cs2 | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -10.0 | 6crv | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | spike glycoprotein |
| -10.0 | 6m71 | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6crv | DB07270 | N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE | GAYYMURZGLJDCT-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6crv | DB11796 | Fostemsavir | SWMDAPWAQQTBOG-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | 3CL pro |
| -10.0 | 6vxx | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6cs2 | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.0 | 6crv | DB00223 | Diflorasone | WXURHACBFYSXBI-XHIJKXOTSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB06306 | Onalespib | IFRGXKKQHBVPCQ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6cs2 | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | ACE2 area for S-protein binding |
| -10.0 | 6cs2 | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.0 | 6m71 | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6crv | DB00251 | Terconazole | BLSQLHNBWJLIBQ-OZXSUGGESA-N | spike glycoprotein |
| -10.0 | 6cs2 | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.0 | 6m3m | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | PL pro |
| -10.0 | 6m3m | DB11371 | Alfaxalone | DUHUCHOQIDJXAT-OLVMNOGESA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB01184 | Domperidone | FGXWKSZFVQUSTL-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB07107 | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | SGHXFHRRWFLILP-XJDXJNMNSA-N | spike glycoprotein |
| -10.0 | 6w9c | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | PL pro |
| -10.0 | 6w9c | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | PL pro |
| -10.0 | 6m2n | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6m2n | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | 3CL pro |
| -10.0 | 6vxs | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | ribose phosphatase of NSP3 |
| -10.0 | 6vxx | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | spike glycoprotein |
| -10.0 | 6crv | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB07848 | 5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide | BHNMMFGOJRIAEZ-LRDDRELGSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | 3CL pro |
| -10.0 | 6m3m | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB02008 | 1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine | JHSHXKJSPVHPCJ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | PL pro |
| -10.0 | 6m3m | DB14637 | Fluprednisolone acetate | CYMBAKFTWRNHPS-APRQOCPKSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB08174 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE | QCPYHSAHOYXXQK-DLBZAZTESA-N | spike glycoprotein |
| -10.0 | 6vxx | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | spike glycoprotein |
| -10.0 | 6crv | DB09383 | Meprednisone | PIDANAQULIKBQS-RNUIGHNZSA-N | spike glycoprotein |
| -10.0 | 6crv | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | PL pro |
| -10.0 | 6vxs | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | ribose phosphatase of NSP3 |
| -10.0 | 6m3m | DB12743 | Z-160 | VCPMZDWBEWTGNW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB14152 | Ginsenosides | NLHQJXWYMZLQJY-SWIZOJJJSA-N | PL pro |
| -10.0 | 6w4h | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | nsp16 - nsp10 |
| -10.0 | 7bv1 | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6m3m | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB04842 | Fluspirilene | QOYHHIBFXOOADH-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB13060 | CEP-37440 | BCSHRERPHLTPEE-NRFANRHFSA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | PL pro |
| -10.0 | 6crv | DB09095 | Difluocortolone | OGPWIDANBSLJPC-RFPWEZLHSA-N | spike glycoprotein |
| -10.0 | 6w9c | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | PL pro |
| -10.0 | 6w9c | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | PL pro |
| -10.0 | 6m3m | DB12996 | Acteoside | FBSKJMQYURKNSU-ZLSOWSIRSA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6crv | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB07000 | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | ILXJWLWSYAWJKZ-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6cs2 | DB04879 | Vatalanib | YCOYDOIWSSHVCK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.0 | 6vxx | DB05423 | ORG-34517 | DFELGYQKEOCHOA-BZAFBGKRSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB01380 | Cortisone acetate | ITRJWOMZKQRYTA-RFZYENFJSA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | 3CL pro |
| -10.0 | 6m3m | DB14631 | Prednisolone phosphate | JDOZJEUDSLGTLU-VWUMJDOOSA-N | nucleocapsid protein |
| -10.0 | 6m71 | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6lzg | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | Spike - human ACE2-SLC6A19 complex |
| -10.0 | 6m3m | DB03768 | N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3 | WRUVOSYKHXGAQN-GKRYNVPLSA-N | nucleocapsid protein |
| -10.0 | 6lxt | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | S2 unit |
| -10.0 | 6lxt | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | S2 unit |
| -10.0 | 6m3m | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB08747 | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | JJTPPGUNMJMPLY-QFIPXVFZSA-N | 3CL pro |
| -10.0 | 6crv | DB14207 | Fosinoprilat | WOIWWYDXDVSWAZ-RTWAWAEBSA-N | spike glycoprotein |
| -10.0 | 6w4h | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | nsp16 - nsp10 |
| -10.0 | 6m3m | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | nucleocapsid protein |
| -10.0 | 6crv | DB04432 | ZK-805623 | ZXIHYCYAQUQHSG-UHFFFAOYSA-O | spike glycoprotein |
| -10.0 | 6vxx | DB00694 | Daunorubicin | STQGQHZAVUOBTE-VGBVRHCVSA-N | spike glycoprotein |
| -10.0 | 6crv | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB12996 | Acteoside | FBSKJMQYURKNSU-ZLSOWSIRSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | 3CL pro |
| -10.0 | 6w4h | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.0 | 6crv | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6vxx | DB03213 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone | VVVXDHROXQUONB-UHFFFAOYSA-P | spike glycoprotein |
| -10.0 | 6m3m | DB04705 | (3BETA)-CHOLEST-5-ENE-3,25-DIOL | INBGSXNNRGWLJU-ZHHJOTBYSA-N | nucleocapsid protein |
| -10.0 | 6w9c | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | PL pro |
| -10.0 | 6crv | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | spike glycoprotein |
| -10.0 | 6vxx | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | spike glycoprotein |
| -10.0 | 6crv | DB12336 | GDC-0917 | HSHPBORBOJIXSQ-HARLFGEKSA-N | spike glycoprotein |
| -10.0 | 6vxx | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | 3CL pro |
| -10.0 | 6m2n | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | 3CL pro |
| -10.0 | 7bv1 | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | nsp12-nsp7-nsp8 |
| -10.0 | 6cs2 | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.0 | 6cs2 | DB08881 | Vemurafenib | GPXBXXGIAQBQNI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -10.0 | 6w9c | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | PL pro |
| -10.0 | 6w4h | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | nsp16 - nsp10 |
| -10.0 | 6m2n | DB07630 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-IAGOWNOFSA-N | 3CL pro |
| -10.0 | 6m2n | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6lxt | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | S2 unit |
| -10.0 | 6w9c | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | PL pro |
| -10.0 | 6lxt | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | S2 unit |
| -10.0 | 6crv | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6cs2 | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | ACE2 area for S-protein binding |
| -10.0 | 6m3m | DB14626 | Pregnenolone acetate | CRRKVZVYZQXICQ-RJJCNJEVSA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB12306 | Cipargamin | CKLPLPZSUQEDRT-WPCRTTGESA-N | 3CL pro |
| -10.0 | 6m3m | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | nucleocapsid protein |
| -10.0 | 6crv | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | spike glycoprotein |
| -10.0 | 6w9c | DB15138 | AZD-9496 | DFBDRVGWBHBJNR-BBNFHIFMSA-N | PL pro |
| -10.0 | 6crv | DB14856 | PF-05089771 | ZYSCOUXLBXGGIM-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6m2n | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | 3CL pro |
| -10.0 | 6crv | DB00973 | Ezetimibe | OLNTVTPDXPETLC-XPWALMASSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | 3CL pro |
| -10.0 | 6m3m | DB12024 | PF-04418948 | LWJGMYMNSNVCEM-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m3m | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | nucleocapsid protein |
| -10.0 | 6vxx | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | spike glycoprotein |
| -10.0 | 6vxs | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | ribose phosphatase of NSP3 |
| -10.0 | 6vxx | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | spike glycoprotein |
| -10.0 | 6w4h | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.0 | 6m3m | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6w4h | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -10.0 | 6m3m | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | nucleocapsid protein |
| -10.0 | 6m2n | DB11878 | Filibuvir | SLVAPEZTBDBAPI-GDLZYMKVSA-N | 3CL pro |
| -10.0 | 6vxx | DB07583 | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE | RLNNFNGBXLTQOB-RBUKOAKNSA-N | spike glycoprotein |
| -10.0 | 6m3m | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB01185 | Fluoxymesterone | YLRFCQOZQXIBAB-RBZZARIASA-N | nucleocapsid protein |
| -9.9 | 6crv | DB11751 | Cabotegravir | WCWSTNLSLKSJPK-LKFCYVNXSA-N | spike glycoprotein |
| -9.9 | 6crv | DB03363 | 3-Acetylpyridine Adenine Dinucleotide | KPVQNXLUPNWQHM-RBEMOOQDSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB03363 | 3-Acetylpyridine Adenine Dinucleotide | KPVQNXLUPNWQHM-RBEMOOQDSA-N | 3CL pro |
| -9.9 | 6w4h | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | nsp16 - nsp10 |
| -9.9 | 6m3m | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB00559 | Bosentan | GJPICJJJRGTNOD-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6w4h | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | nsp16 - nsp10 |
| -9.9 | 6m2n | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6m2n | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6crv | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6crv | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6crv | DB07847 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE | ICLOZQFWTRAYPX-LIRRHRJNSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | PL pro |
| -9.9 | 6m3m | DB14821 | Macozinone | BJDZBXGJNBMCAV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | 3CL pro |
| -9.9 | 6vxx | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6crv | DB05913 | OSI-930 | FGTCROZDHDSNIO-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB12580 | Tradipitant | CAVRKWRKTNINFF-UHFFFAOYSA-N | PL pro |
| -9.9 | 6m3m | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | nucleocapsid protein |
| -9.9 | 6cs2 | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | PL pro |
| -9.9 | 6lxt | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | S2 unit |
| -9.9 | 6m2n | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | 3CL pro |
| -9.9 | 6crv | DB12665 | Isoquercetin | OVSQVDMCBVZWGM-QSOFNFLRSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB03005 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | ISUOMOOYAOQQPZ-UHFFFAOYSA-O | PL pro |
| -9.9 | 6w4h | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | nsp16 - nsp10 |
| -9.9 | 6crv | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 7bv1 | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6crv | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB08494 | S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate | AWAKIULNKVOBKE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB12130 | Lorlatinib | IIXWYSCJSQVBQM-LLVKDONJSA-N | 3CL pro |
| -9.9 | 6crv | DB11966 | BMS-986094 | YFXGICNMLCGLHJ-RSKRLRQZSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | nucleocapsid protein |
| -9.9 | 6crv | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB12419 | HSD-016 | ZWASRJHIEFYJGL-BFUOFWGJSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB12052 | Icariin | TZJALUIVHRYQQB-XLRXWWTNSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB13856 | Fluclorolone | VTWKPILBIUBMDS-OTJLYDAYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB03157 | N,O-Didansyl-L-Tyrosine | LUBOPDUYHWABFG-NDEPHWFRSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB01876 | Bis(5-Amidino-2-Benzimidazolyl)Methanone | VVVXDHROXQUONB-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6cs2 | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB15102 | Pemigatinib | HCDMJFOHIXMBOV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB12380 | GDC-0152 | WZRFLSDVFPIXOV-LRQRDZAKSA-N | PL pro |
| -9.9 | 6vxx | DB08051 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | XXRHRPGYYNOBHO-QGZVFWFLSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB12412 | Gemigliptin | ZWPRRQZNBDYKLH-VIFPVBQESA-N | 3CL pro |
| -9.9 | 6crv | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | spike glycoprotein |
| -9.9 | 6lxt | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | S2 unit |
| -9.9 | 6m2n | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | 3CL pro |
| -9.9 | 7bv1 | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6vxx | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | 3CL pro |
| -9.9 | 6m2n | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6m3m | DB06307 | Apoptone | CKAXZOYFIHQCBN-JRRMKBMNSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB11806 | VTP-194204 | BOOOLEGQBVUTKC-NVQSDHBMSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 7bv1 | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6crv | DB01768 | Methylumbelliferyl Sialic Acid | KKDWIUJBUSOPGC-GKHMPSLRSA-N | spike glycoprotein |
| -9.9 | 6lxt | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | S2 unit |
| -9.9 | 6lxt | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | S2 unit |
| -9.9 | 6m3m | DB14034 | Darglitazone | QQKNSPHAFATFNQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6w4h | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.9 | 6cs2 | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6vxs | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.9 | 6m3m | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6cs2 | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6lxt | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | S2 unit |
| -9.9 | 6m2n | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6w9c | DB15295 | Tenalisib | HDXDQPRPFRKGKZ-INIZCTEOSA-N | PL pro |
| -9.9 | 6crv | DB13135 | AGN-201904 | PPCGSVWOZKNPCX-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | PL pro |
| -9.9 | 6m2n | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6crv | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB13003 | Cortivazol | RKHQGWMMUURILY-UHRZLXHJSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB04125 | N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine | ZUWBXGHMVKDMQO-DEOSSOPVSA-N | PL pro |
| -9.9 | 6cs2 | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB01763 | 7-thionicotinamide-adenine-dinucleotide phosphate | OJNFDOAQUXJWED-NNYOXOHSSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | PL pro |
| -9.9 | 6w9c | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | PL pro |
| -9.9 | 6m3m | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB01591 | Solifenacin | FBOUYBDGKBSUES-VXKWHMMOSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB08820 | Ivacaftor | PURKAOJPTOLRMP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | PL pro |
| -9.9 | 6crv | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | spike glycoprotein |
| -9.9 | 6crv | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6cs2 | DB07390 | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE | RKWXKADYTDWZIJ-VIFPVBQESA-N | ACE2 area for S-protein binding |
| -9.9 | 6w9c | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | PL pro |
| -9.9 | 7bv1 | DB04125 | N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine | ZUWBXGHMVKDMQO-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6m3m | DB01941 | 6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl]Pyridine-3-Carboxylic Acid | SLXTWXQUEZSSTJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6vxs | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.9 | 6lxt | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | S2 unit |
| -9.9 | 6m3m | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB05412 | Talmapimod | ZMELOYOKMZBMRB-DLBZAZTESA-N | nucleocapsid protein |
| -9.9 | 6crv | DB15229 | CNV-2197944 | BLFJGFDZMABYMY-ZDUSSCGKSA-N | spike glycoprotein |
| -9.9 | 6crv | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | spike glycoprotein |
| -9.9 | 6m3m | DB02123 | Glycochenodeoxycholic Acid | GHCZAUBVMUEKKP-GYPHWSFCSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB07024 | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE | CEXBEGBNDJVZPK-UHFFFAOYSA-N | PL pro |
| -9.9 | 6w9c | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | PL pro |
| -9.9 | 7bv1 | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6m3m | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB14054 | Asiatic acid | JXSVIVRDWWRQRT-UYDOISQJSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | PL pro |
| -9.9 | 6vxx | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m71 | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6w9c | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | PL pro |
| -9.9 | 6cs2 | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB01029 | Irbesartan | YOSHYTLCDANDAN-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6m2n | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | 3CL pro |
| -9.9 | 6w9c | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | PL pro |
| -9.9 | 6m3m | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | spike glycoprotein |
| -9.9 | 6m3m | DB12858 | LY-377604 | RBSGUQYXRDKPAE-QFIPXVFZSA-N | nucleocapsid protein |
| -9.9 | 6m71 | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6m3m | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | PL pro |
| -9.9 | 6vxx | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6lzg | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.9 | 6m2n | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | 3CL pro |
| -9.9 | 6cs2 | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | ACE2 area for S-protein binding |
| -9.9 | 6crv | DB08213 | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE | PFAYCUAUBOGVDX-AWEZNQCLSA-N | spike glycoprotein |
| -9.9 | 6crv | DB01763 | 7-thionicotinamide-adenine-dinucleotide phosphate | OJNFDOAQUXJWED-NNYOXOHSSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | spike glycoprotein |
| -9.9 | 6m3m | DB02217 | Dpb-T | WTZFKHNHHRPQOU-WSMBLCCSSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB08416 | (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOX1TRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE | AQSNIXKAKUZPSI-SSTWWWIQSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB13931 | Netarsudil | OURRXQUGYQRVML-AREMUKBSSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB07653 | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE | VXTCEUDVOCLEJG-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | 3CL pro |
| -9.9 | 6vxx | DB00301 | Flucloxacillin | UIOFUWFRIANQPC-JKIFEVAISA-N | spike glycoprotein |
| -9.9 | 6crv | DB06090 | Bradanicline | OXKRFEWMSWPKKV-GHTZIAJQSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB09272 | Eluxadoline | QFNHIDANIVGXPE-FNZWTVRRSA-N | nucleocapsid protein |
| -9.9 | 6w4h | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | nsp16 - nsp10 |
| -9.9 | 6cs2 | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB06159 | Rubitecan | VHXNKPBCCMUMSW-FQEVSTJZSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB06160 | Garenoxacin | NJDRXTDGYFKORP-LLVKDONJSA-N | nucleocapsid protein |
| -9.9 | 6cs2 | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6vxx | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | spike glycoprotein |
| -9.9 | 6crv | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB07570 | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | ZKEZEXYKYHYIMQ-UHFFFAOYSA-N | PL pro |
| -9.9 | 6crv | DB07651 | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE | KPMMESISHWWXNM-ROUUACIJSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | nucleocapsid protein |
| -9.9 | 6w4h | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.9 | 6crv | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6vxx | DB12843 | Oleandrin | JLPDBLFIVFSOCC-XYXFTTADSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6cs2 | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | ACE2 area for S-protein binding |
| -9.9 | 6crv | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB05804 | Prasterone sulfate | CZWCKYRVOZZJNM-USOAJAOKSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6w9c | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | PL pro |
| -9.9 | 6vxx | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB12307 | Foretinib | CXQHYVUVSFXTMY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB00959 | Methylprednisolone | VHRSUDSXCMQTMA-PJHHCJLFSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6m71 | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6w9c | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | PL pro |
| -9.9 | 6lzg | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.9 | 6vxx | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6lzg | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.9 | 6vxs | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.9 | 6m2n | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | 3CL pro |
| -9.9 | 6m3m | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | OWXORKPNCHJYOF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB15046 | LY-2881835 | FHRWHNJJQGSCQC-LJAQVGFWSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | 3CL pro |
| -9.9 | 6crv | DB06454 | Sarizotan | HKFMQJUJWSFOLY-OAQYLSRUSA-N | spike glycoprotein |
| -9.9 | 6crv | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | spike glycoprotein |
| -9.9 | 6lxt | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | S2 unit |
| -9.9 | 6m3m | DB03907 | N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-Benzamide | UHHBFOLQOQSPLU-WGRQDFERSA-N | nucleocapsid protein |
| -9.9 | 6w9q | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | nsp9 RNA-replicase |
| -9.9 | 6m3m | DB02466 | 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid | ZXQHMEUGMCXKLO-KPKJPENVSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6crv | DB08882 | Linagliptin | LTXREWYXXSTFRX-QGZVFWFLSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB04960 | Tipifarnib | PLHJCIYEEKOWNM-HHHXNRCGSA-N | 3CL pro |
| -9.9 | 6cs2 | DB11816 | Omecamtiv Mecarbil | RFUBTTPMWSKEIW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB02873 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One | YAWZIQKDHQIHOS-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6crv | DB11844 | Pritelivir | IVZKZONQVYTCKC-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB13528 | Chlormadinone | VUHJZBBCZGVNDZ-TTYLFXKOSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB02128 | [1-(3-Hydroxy-2-Oxo-1-Phenethyl-Propylcarbamoyl)2-Phenyl-Ethyl]-Carbamic Acid Pyridin-4-Ylmethyl Ester | QCUBCTPTNWPFBC-ZEQRLZLVSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB15141 | Deutivacaftor | PURKAOJPTOLRMP-ASMGOKTBSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB07830 | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE | DIRIFWIKLRTNMB-DYVFJYSZSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | spike glycoprotein |
| -9.9 | 6cs2 | DB15297 | Petesicatib | KXAAIORSMACJSI-AEFFLSMTSA-N | ACE2 area for S-protein binding |
| -9.9 | 6vxx | DB03351 | Sri-9439 | KMSATRJZEXNGDP-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB02691 | Glycocholic acid | RFDAIACWWDREDC-FRVQLJSFSA-M | nucleocapsid protein |
| -9.9 | 6m3m | DB06995 | N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide | USBSTVPJNQLYEM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | spike glycoprotein |
| -9.9 | 6lxt | DB14066 | Tetrandrine | WVTKBKWTSCPRNU-KYJUHHDHSA-N | S2 unit |
| -9.9 | 6cs2 | DB15003 | PF-06700841 | BUWBRTXGQRBBHG-MJBXVCDLSA-N | ACE2 area for S-protein binding |
| -9.9 | 6vxx | DB02732 | Nicotinamide Adenine Dinucleotide Acetone Adduct | SGHBFOOIAAJJMI-YDKVLQLQSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB00559 | Bosentan | GJPICJJJRGTNOD-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6m2n | DB04098 | Balanol | XYUFCXJZFZPEJD-PGRDOPGGSA-N | 3CL pro |
| -9.9 | 6m3m | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m71 | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6m3m | DB13587 | Mesterolone | UXYRZJKIQKRJCF-TZPFWLJSSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | spike glycoprotein |
| -9.9 | 7bv1 | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6vxx | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | PL pro |
| -9.9 | 6lzg | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.9 | 6cs2 | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | ACE2 area for S-protein binding |
| -9.9 | 6cs2 | DB15307 | Atabecestat | VLLFGVHGKLDDLW-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB11730 | Ribociclib | RHXHGRAEPCAFML-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6m3m | DB00197 | Troglitazone | GXPHKUHSUJUWKP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB12806 | GSK-1004723 | YANGEESWIGIKOP-UUWRZZSWSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB02668 | Je-2147, Ag1776, Kni-764 | CUFQBQOBLVLKRF-RZDMPUFOSA-N | 3CL pro |
| -9.9 | 6vxs | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.9 | 6crv | DB06429 | Talnetant | BIAVGWDGIJKWRM-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6cs2 | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | ACE2 area for S-protein binding |
| -9.9 | 6cs2 | DB09291 | Rolapitant | FIVSJYGQAIEMOC-ZGNKEGEESA-N | ACE2 area for S-protein binding |
| -9.9 | 6cs2 | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB06718 | Stanozolol | LKAJKIOFIWVMDJ-IYRCEVNGSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB15108 | Tipranavir C-14 | SUJUHGSWHZTSEU-MWQIXQBFSA-N | 3CL pro |
| -9.9 | 6m2n | DB12272 | Vidupiprant | PFWVGKROPKKEDW-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6m71 | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6m2n | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | 3CL pro |
| -9.9 | 6w9c | DB13422 | Nicofuranose | FUWFSXZKBMCSKF-ZASNTINBSA-N | PL pro |
| -9.9 | 6crv | DB01893 | N6-Benzyl Adenosine-5'-Diphosphate | MRHGMAGSDAQUFH-LSCFUAHRSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB01471 | Bolasterone | IVFYLRMMHVYGJH-VLOLGRDOSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | 3CL pro |
| -9.9 | 6w9c | DB13648 | Alcuronium | MUQUYTSLDVKIOF-CHJKCJHBSA-N | PL pro |
| -9.9 | 6m3m | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB08822 | Azilsartan medoxomil | QJFSABGVXDWMIW-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6w9q | DB03005 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | ISUOMOOYAOQQPZ-UHFFFAOYSA-O | nsp9 RNA-replicase |
| -9.9 | 6cs2 | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB01830 | {4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid | SPSGYTWOIGAABK-DQEYMECFSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB06543 | Astaxanthin | MQZIGYBFDRPAKN-UWFIBFSHSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6m3m | DB08520 | (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE | VUCSBBBCFXBFFY-IBGZPJMESA-N | nucleocapsid protein |
| -9.9 | 6crv | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | spike glycoprotein |
| -9.9 | 6w4h | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.9 | 6m2n | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | 3CL pro |
| -9.9 | 6vxx | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | 3CL pro |
| -9.9 | 6m3m | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6vxs | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.9 | 6m3m | DB00591 | Fluocinolone acetonide | FEBLZLNTKCEFIT-VSXGLTOVSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB13074 | Macimorelin | UJVDJAPJQWZRFR-DHIUTWEWSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | PL pro |
| -9.9 | 6crv | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB04038 | Ergosterol | DNVPQKQSNYMLRS-APGDWVJJSA-N | nucleocapsid protein |
| -9.9 | 6lzg | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.9 | 6crv | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | PL pro |
| -9.9 | 6crv | DB15448 | Acumapimod | VGUSQKZDZHAAEE-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6cs2 | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB07369 | N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | YMJLSOJLEXWATP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | PL pro |
| -9.9 | 6vxx | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB15173 | JNJ-42165279 | YWGYNGCRVZLMCS-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6crv | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | spike glycoprotein |
| -9.9 | 6m3m | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6vxs | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.9 | 6m3m | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | nucleocapsid protein |
| -9.9 | 6vxs | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | ribose phosphatase of NSP3 |
| -9.9 | 6crv | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | spike glycoprotein |
| -9.9 | 6crv | DB07081 | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | FDEXEPZGMKFCTG-PSASIEDQSA-N | spike glycoprotein |
| -9.9 | 6crv | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | spike glycoprotein |
| -9.9 | 6crv | DB13080 | Roluperidone | RNRYULFRLCBRQS-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | spike glycoprotein |
| -9.9 | 6m3m | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB00137 | Lutein | KBPHJBAIARWVSC-RGZFRNHPSA-N | spike glycoprotein |
| -9.9 | 6crv | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | spike glycoprotein |
| -9.9 | 7bv1 | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6m2n | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | 3CL pro |
| -9.9 | 6vxx | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | spike glycoprotein |
| -9.9 | 6vxx | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | spike glycoprotein |
| -9.9 | 6crv | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6lxt | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | S2 unit |
| -9.9 | 6vxx | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | spike glycoprotein |
| -9.9 | 6vxx | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6lxt | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | S2 unit |
| -9.9 | 6w9c | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | PL pro |
| -9.9 | 6m2n | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | 3CL pro |
| -9.9 | 6w9c | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | PL pro |
| -9.9 | 6m3m | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB09233 | Cronidipine | CNIJVNPIIHWRRP-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6lxt | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | S2 unit |
| -9.9 | 6crv | DB08043 | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA | DDDLGNOZDKDSEG-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB07793 | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | ACSGSLPOHKRZCY-GXTWGEPZSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB07351 | O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE | ICACWKLCNCPHAM-YJBOKZPZSA-N | spike glycoprotein |
| -9.9 | 6cs2 | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB00764 | Mometasone | QLIIKPVHVRXHRI-CXSFZGCWSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB00438 | Ceftazidime | ORFOPKXBNMVMKC-DWVKKRMSSA-N | spike glycoprotein |
| -9.9 | 6vxs | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.9 | 6m3m | DB05039 | Indacaterol | QZZUEBNBZAPZLX-QFIPXVFZSA-N | nucleocapsid protein |
| -9.9 | 6cs2 | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB11429 | Mibolerone | PTQMMNYJKCSPET-OMHQDGTGSA-N | nucleocapsid protein |
| -9.9 | 6cs2 | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | ACE2 area for S-protein binding |
| -9.9 | 6vxx | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | spike glycoprotein |
| -9.9 | 6w4h | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | nsp16 - nsp10 |
| -9.9 | 6w9c | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | PL pro |
| -9.9 | 6m71 | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | nsp12-nsp7-nsp8 |
| -9.9 | 6crv | DB02668 | Je-2147, Ag1776, Kni-764 | CUFQBQOBLVLKRF-RZDMPUFOSA-N | spike glycoprotein |
| -9.9 | 6lxt | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | S2 unit |
| -9.9 | 6crv | DB06831 | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE | UMMYTDJYDSTEMB-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | PL pro |
| -9.9 | 6vxx | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | spike glycoprotein |
| -9.9 | 6crv | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB11878 | Filibuvir | SLVAPEZTBDBAPI-GDLZYMKVSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB11796 | Fostemsavir | SWMDAPWAQQTBOG-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6lxt | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | S2 unit |
| -9.9 | 6crv | DB08042 | N-4-methyl-N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | FLXGQDHYCWXTAI-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB13094 | Pruvanserin | AQRLDDAFYYAIJP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m2n | DB06420 | Annamycin | CIDNKDMVSINJCG-GKXONYSUSA-N | 3CL pro |
| -9.9 | 6m3m | DB07879 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide | SMSIXMLQOONOQQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | spike glycoprotein |
| -9.9 | 6m2n | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | 3CL pro |
| -9.9 | 6cs2 | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6crv | DB03461 | 2'-Monophosphoadenosine 5'-Diphosphoribose | XJLXINKUBYWONI-NNYOXOHSSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | PL pro |
| -9.9 | 6cs2 | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6m3m | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | nucleocapsid protein |
| -9.9 | 6m3m | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.9 | 6w9c | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | PL pro |
| -9.9 | 6cs2 | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6vxx | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB12015 | Alpelisib | STUWGJZDJHPWGZ-LBPRGKRZSA-N | nucleocapsid protein |
| -9.9 | 6cs2 | DB14029 | Furafylline | HMZQULPVMKITSP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6cs2 | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.9 | 6crv | DB12234 | BMS-214662 | OLCWFLWEHWLBTO-HSZRJFAPSA-N | spike glycoprotein |
| -9.9 | 6m3m | DB03605 | (2s)-2-[(2,4-Dichloro-Benzoyl)-(3-Trifluoromethyl-Benzyl)-Amino]-3-Phenyl-Propionic Acid | LAJJKGIZTCCOHY-NRFANRHFSA-N | nucleocapsid protein |
| -9.9 | 6vxx | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | spike glycoprotein |
| -9.9 | 6w9c | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | PL pro |
| -9.9 | 6m2n | DB00932 | Tipranavir | SUJUHGSWHZTSEU-FYBSXPHGSA-N | 3CL pro |
| -9.9 | 6m3m | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | nucleocapsid protein |
| -9.9 | 6lxt | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | S2 unit |
| -9.9 | 6m3m | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6cs2 | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6w9c | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | PL pro |
| -9.8 | 6cs2 | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -9.8 | 7bv1 | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6crv | DB12285 | Verubecestat | YHYKUSGACIYRML-KRWDZBQOSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | 3CL pro |
| -9.8 | 6m3m | DB00838 | Clocortolone | YMTMADLUXIRMGX-RFPWEZLHSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB01669 | Virginiamycin M1 | DAIKHDNSXMZDCU-FQTGFAPKSA-N | spike glycoprotein |
| -9.8 | 6crv | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB11796 | Fostemsavir | SWMDAPWAQQTBOG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB08489 | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE | GCBPAPVOMPJQHK-NQIIRXRSSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB08391 | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UBIIFKJMNRPNMT-CQSZACIVSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB11871 | PF-00610355 | YPHDIMUXXABSSO-YTTGMZPUSA-N | 3CL pro |
| -9.8 | 6crv | DB12385 | 10-hydroxycamptothecin | HAWSQZCWOQZXHI-FQEVSTJZSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | 3CL pro |
| -9.8 | 6lxt | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | S2 unit |
| -9.8 | 6m2n | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | 3CL pro |
| -9.8 | 6lxt | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | S2 unit |
| -9.8 | 6m3m | DB08339 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | ZIQFYVPVJZEOFS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | spike glycoprotein |
| -9.8 | 6crv | DB08423 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | QKZZJXRGCHXIAI-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB08058 | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one | HGEPGGJUGUMFHT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB07796 | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE | GJYCQHGTXMVIBG-MUGJNUQGSA-O | PL pro |
| -9.8 | 6cs2 | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6m3m | DB15099 | GW-468816 | XDKRVNKVAKCFGW-WXWBBQJKSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB07786 | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | SMFRBBHLVBWHGB-DJJJIMSYSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB12307 | Foretinib | CXQHYVUVSFXTMY-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB04623 | 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | CGBRFCVAMLJVEA-ZGURCIGKSA-N | spike glycoprotein |
| -9.8 | 6crv | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB11984 | Letaxaban | GEHAEMCVKDPMKO-HXUWFJFHSA-N | 3CL pro |
| -9.8 | 6m3m | DB07847 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE | ICLOZQFWTRAYPX-LIRRHRJNSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | 3CL pro |
| -9.8 | 6vxx | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | 3CL pro |
| -9.8 | 6crv | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m71 | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6vxx | DB05470 | VX-702 | FYSRKRZDBHOFAY-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB04514 | Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester | DFYLLEBFVZTKHD-VMIOUTBZSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | PL pro |
| -9.8 | 6vxx | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | PL pro |
| -9.8 | 6w9c | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | PL pro |
| -9.8 | 6m3m | DB07814 | Gibberellic acid | IXORZMNAPKEEDV-OBDJNFEBSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB01392 | Yohimbine | BLGXFZZNTVWLAY-SCYLSFHTSA-N | nucleocapsid protein |
| -9.8 | 6lxt | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | S2 unit |
| -9.8 | 6vxx | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | spike glycoprotein |
| -9.8 | 6crv | DB15450 | PF-05105679 | BXNMZRPTQFVRFA-QGZVFWFLSA-N | spike glycoprotein |
| -9.8 | 6crv | DB14937 | MK-8666 | CODQKEMYZZKQAE-QPVYNBJUSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB14885 | PF-05180999 | CLGCHUKGBICQTE-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6vxs | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6vxx | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w4h | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6crv | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | PL pro |
| -9.8 | 6vxx | DB00948 | Mezlocillin | YPBATNHYBCGSSN-VWPFQQQWSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12211 | PSI-697 | DIEPFYNZGUUVHD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB01764 | Dalfopristin | SUYRLXYYZQTJHF-VMBLUXKRSA-N | spike glycoprotein |
| -9.8 | 6crv | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | PL pro |
| -9.8 | 6m3m | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6m71 | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6vxs | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6cs2 | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6crv | DB15048 | Licogliflozin | XFJAMQQAAMJFGB-ZQGJOIPISA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB06248 | Amelubant | SBVYURPQULDJTI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6cs2 | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6crv | DB07404 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | YXQQNSYZOQHKHD-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB15075 | 4-demethyl-4-cholesteryloxycarbonylpenclomedine | ZJUUIXYKTPSIOH-LEZJFEBPSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | 3CL pro |
| -9.8 | 6vxx | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | spike glycoprotein |
| -9.8 | 6vxx | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB01357 | Mestranol | IMSSROKUHAOUJS-MJCUULBUSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB01459 | Bezitramide | FLKWNFFCSSJANB-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB11845 | Lucitanib | CUDVHEFYRIWYQD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB08664 | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | QUQQVMVIWCUYFV-KRWDZBQOSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB04652 | Corticosterone | OMFXVFTZEKFJBZ-HJTSIMOOSA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | PL pro |
| -9.8 | 6m3m | DB11773 | BMS-903452 | OGIAVRWXUPYGGC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6cs2 | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | ACE2 area for S-protein binding |
| -9.8 | 6cs2 | DB01100 | Pimozide | YVUQSNJEYSNKRX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6m3m | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6crv | DB07422 | (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | MMNRWNREMUMYQG-INIZCTEOSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6w4h | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6m2n | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m2n | DB12540 | Lecozotan | NRPQELCNMADTOZ-OAQYLSRUSA-N | 3CL pro |
| -9.8 | 6m3m | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB01067 | Glipizide | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6m71 | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6m2n | DB15205 | Capromorelin | KVLLHLWBPNCVNR-SKCUWOTOSA-N | 3CL pro |
| -9.8 | 6vxx | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | ACE2 area for S-protein binding |
| -9.8 | 6m2n | DB08448 | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol | PCBWLKUEKANDCL-INIZCTEOSA-N | 3CL pro |
| -9.8 | 6m3m | DB08607 | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | GXPHKUHSUJUWKP-NTKDMRAZSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m3m | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB05412 | Talmapimod | ZMELOYOKMZBMRB-DLBZAZTESA-N | 3CL pro |
| -9.8 | 6vxx | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | 3CL pro |
| -9.8 | 6w9c | DB08747 | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | JJTPPGUNMJMPLY-QFIPXVFZSA-N | PL pro |
| -9.8 | 6w9c | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | PL pro |
| -9.8 | 6w9c | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | PL pro |
| -9.8 | 6crv | DB09295 | Talniflumate | ANMLJLFWUCQGKZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 7bv1 | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6m2n | DB11703 | Acalabrutinib | WDENQIQQYWYTPO-IBGZPJMESA-N | 3CL pro |
| -9.8 | 6vxs | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6m3m | DB08097 | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE | OGWSGDLIXOEZJG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB11865 | Brivanib alaninate | LTEJRLHKIYCEOX-OCCSQVGLSA-N | spike glycoprotein |
| -9.8 | 6vxs | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | ribose phosphatase of NSP3 |
| -9.8 | 6m3m | DB00137 | Lutein | KBPHJBAIARWVSC-RGZFRNHPSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB06677 | Clazosentan | LFWCJABOXHSRGC-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6crv | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6lxt | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | S2 unit |
| -9.8 | 6w9c | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | PL pro |
| -9.8 | 6m2n | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | 3CL pro |
| -9.8 | 6m2n | DB13240 | Cymarin | XQCGNURMLWFQJR-ZNDDOCHDSA-N | 3CL pro |
| -9.8 | 6m3m | DB13766 | Lidoflazine | ZBIAKUMOEKILTF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m3m | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB12116 | Epigallocatechin gallate | WMBWREPUVVBILR-WIYYLYMNSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | spike glycoprotein |
| -9.8 | 6crv | DB14876 | TAS-116 | NVVPMZUGELHVMH-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB13610 | Flumedroxone | CDZJOBWKHSYNMO-SCUQKFFVSA-N | PL pro |
| -9.8 | 6crv | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB01016 | Glyburide | ZNNLBTZKUZBEKO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6cs2 | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | ACE2 area for S-protein binding |
| -9.8 | 6crv | DB06635 | Otamixaban | PFGVNLZDWRZPJW-OPAMFIHVSA-N | spike glycoprotein |
| -9.8 | 7bv1 | DB04859 | Zanapezil | PMBLXLOXUGVTGB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6cs2 | DB12341 | LY-2456302 | ZHPMYDSXGRRERG-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -9.8 | 6crv | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12720 | Nivocasan | VYFGDLGHHBUDTQ-ZLGUVYLKSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB11424 | Lufenuron | PWPJGUXAGUPAHP-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB00522 | Bentiromide | SPPTWHFVYKCNNK-FQEVSTJZSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | nucleocapsid protein |
| -9.8 | 6cs2 | DB03777 | Rbt205 Inhibitor | QMGUOJYZJKLOLH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6vxx | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w4h | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6cs2 | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6crv | DB00378 | Dydrogesterone | JGMOKGBVKVMRFX-HQZYFCCVSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | 3CL pro |
| -9.8 | 6m3m | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6w4h | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6m3m | DB08882 | Linagliptin | LTXREWYXXSTFRX-QGZVFWFLSA-N | nucleocapsid protein |
| -9.8 | 7bv1 | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6m3m | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB14845 | Filgotinib | RIJLVEAXPNLDTC-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w4h | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | nsp16 - nsp10 |
| -9.8 | 6m2n | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6crv | DB07550 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | ZIGSBBKEPNQXRG-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | ACE2 area for S-protein binding |
| -9.8 | 6w4h | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | nsp16 - nsp10 |
| -9.8 | 6vxs | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6crv | DB07872 | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | IYGIXVNAMZPBDK-CQSZACIVSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m3m | DB07435 | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | GFANZDFKCCJYRF-NSISKUIASA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB06879 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE | QCFIRACCCDFXIP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB12474 | Lynestrenol | YNVGQYHLRCDXFQ-XGXHKTLJSA-N | spike glycoprotein |
| -9.8 | 6m71 | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6vxx | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB12574 | LY-295501 | VAMFSFIPDOODFH-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12542 | GSK-356278 | AWDJJMXJUOHGLC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB01501 | Difenoxin | UFIVBRCCIRTJTN-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB01471 | Bolasterone | IVFYLRMMHVYGJH-VLOLGRDOSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB00796 | Candesartan cilexetil | GHOSNRCGJFBJIB-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w4h | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | nsp16 - nsp10 |
| -9.8 | 6vxx | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12623 | Taprenepag | MFFBXYNKZHTCEY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB07843 | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE | LTJNKFUIOOJXNJ-WFASDCNBSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB02319 | 5,6-Dihydroxy-Nadp | LRAVAOPKUBJONV-IVCJQJMGSA-N | 3CL pro |
| -9.8 | 6m2n | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m3m | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | spike glycoprotein |
| -9.8 | 6w9q | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.8 | 6crv | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | spike glycoprotein |
| -9.8 | 6crv | DB14661 | Loperamide oxide | KXVSBTJVTUVNPM-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB06809 | Plerixafor | YIQPUIGJQJDJOS-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6crv | DB12115 | AZD-9164 | FNYFFCOCVNTJCD-NNMXADRKSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB02241 | 8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | HOSWCJDTHOAORT-SANMLTNESA-N | 3CL pro |
| -9.8 | 6m71 | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6crv | DB00278 | Argatroban | KXNPVXPOPUZYGB-IOVMHBDKSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6lxt | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | S2 unit |
| -9.8 | 6w4h | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6crv | DB00547 | Desoximetasone | VWVSBHGCDBMOOT-IIEHVVJPSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | 3CL pro |
| -9.8 | 6w9c | DB14993 | Pyrotinib | SADXACCFNXBCFY-IYNHSRRRSA-N | PL pro |
| -9.8 | 6m2n | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m2n | DB15295 | Tenalisib | HDXDQPRPFRKGKZ-INIZCTEOSA-N | 3CL pro |
| -9.8 | 6vxs | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6m3m | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w4h | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6crv | DB06786 | Halcinonide | MUQNGPZZQDCDFT-JNQJZLCISA-N | spike glycoprotein |
| -9.8 | 6crv | DB12998 | PF-00217830 | QGNOXTFZOLDODX-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | PL pro |
| -9.8 | 6crv | DB00687 | Fludrocortisone | AAXVEMMRQDVLJB-BULBTXNYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | spike glycoprotein |
| -9.8 | 6m3m | DB13471 | Nalfurafine | XGZZHZMWIXFATA-UEZBDDGYSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | nucleocapsid protein |
| -9.8 | 6w4h | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6m3m | DB14632 | Prednisolone tebutate | HUMXXHTVHHLNRO-KAJVQRHHSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | 3CL pro |
| -9.8 | 6crv | DB08546 | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | CETLUACQMGBMFH-ZALSBGIRSA-N | spike glycoprotein |
| -9.8 | 6crv | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB14539 | Hydrocortisone acetate | ALEXXDVDDISNDU-JZYPGELDSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6crv | DB08519 | N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | SQQAPOSROFWHIB-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | PL pro |
| -9.8 | 6vxx | DB00377 | Palonosetron | CPZBLNMUGSZIPR-NVXWUHKLSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | PL pro |
| -9.8 | 6w9c | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | PL pro |
| -9.8 | 6m3m | DB12888 | Ezutromid | KSGCNXAZROJSNW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | nucleocapsid protein |
| -9.8 | 6cs2 | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6vxx | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | spike glycoprotein |
| -9.8 | 6crv | DB03478 | 2'-O-Acetyl Adenosine-5-Diphosphoribose | BFNOPXRXIQJDHO-DLFWLGJNSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | 3CL pro |
| -9.8 | 6m3m | DB02319 | 5,6-Dihydroxy-Nadp | LRAVAOPKUBJONV-IVCJQJMGSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | 3CL pro |
| -9.8 | 6m2n | DB12843 | Oleandrin | JLPDBLFIVFSOCC-XYXFTTADSA-N | 3CL pro |
| -9.8 | 7bv1 | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6m3m | DB13499 | Cefsulodin | SYLKGLMBLAAGSC-QLVMHMETSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB02177 | 1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine | GKGJFUXSTSUKPB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB11692 | Pavinetant | QYTBBBAHNIWFOD-NRFANRHFSA-N | spike glycoprotein |
| -9.8 | 6crv | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB08058 | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one | HGEPGGJUGUMFHT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6m3m | DB01514 | Furazabol | RGLLOUBXMOGLDQ-IVEVATEUSA-N | nucleocapsid protein |
| -9.8 | 6lxt | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | S2 unit |
| -9.8 | 6crv | DB00443 | Betamethasone | UREBDLICKHMUKA-DVTGEIKXSA-N | spike glycoprotein |
| -9.8 | 6crv | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | 3CL pro |
| -9.8 | 6w9c | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | PL pro |
| -9.8 | 6w9c | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | PL pro |
| -9.8 | 6m3m | DB15356 | SLV-334 | LOFDNSDPZTVIIO-VPUSJEBWSA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB14555 | Ursadiol | RTLXJEJRLWILSU-GWNGJUQLSA-N | PL pro |
| -9.8 | 7bv1 | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6m3m | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | spike glycoprotein |
| -9.8 | 6w4h | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | nsp16 - nsp10 |
| -9.8 | 6vxx | DB13240 | Cymarin | XQCGNURMLWFQJR-ZNDDOCHDSA-N | spike glycoprotein |
| -9.8 | 6wiq | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | nsp7-nsp8 |
| -9.8 | 6m3m | DB08970 | Fluprednidene | YVHXHNGGPURVOS-SBTDHBFYSA-N | nucleocapsid protein |
| -9.8 | 6cs2 | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6crv | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6vxx | DB04971 | Reglitazar | QBQLYIISSRXYKL-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB09295 | Talniflumate | ANMLJLFWUCQGKZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB14648 | Acetyl simvastatin | OHVWRJDVJRNCPE-BIKFJBPRSA-N | spike glycoprotein |
| -9.8 | 6crv | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB15191 | MAX-40279 | AVIOBQFPAGEICQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6m3m | DB04971 | Reglitazar | QBQLYIISSRXYKL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB01426 | Ajmaline | CJDRUOGAGYHKKD-HEFSZTOGSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | 3CL pro |
| -9.8 | 6m3m | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m3m | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | spike glycoprotein |
| -9.8 | 6crv | DB08747 | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | JJTPPGUNMJMPLY-QFIPXVFZSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12972 | Sepranolone | AURFZBICLPNKBZ-FZCSVUEKSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB07138 | Neflamapimod | VEPKQEUBKLEPRA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6lzg | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.8 | 6m3m | DB06543 | Astaxanthin | MQZIGYBFDRPAKN-UWFIBFSHSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB12394 | Eleclazine | YNUAEEJQYHYLMS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6w9c | DB05983 | Bardoxolone methyl | WPTTVJLTNAWYAO-KPOXMGGZSA-N | PL pro |
| -9.8 | 6m2n | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6vxx | DB06755 | Beta carotene | OENHQHLEOONYIE-JLTXGRSLSA-N | spike glycoprotein |
| -9.8 | 6crv | DB00227 | Lovastatin | PCZOHLXUXFIOCF-BXMDZJJMSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB12095 | Telotristat ethyl | MDSQOJYHHZBZKA-GBXCKJPGSA-N | spike glycoprotein |
| -9.8 | 6crv | DB04882 | Edotecarin | QMVPQBFHUJZJCS-NTKFZFFISA-N | spike glycoprotein |
| -9.8 | 6crv | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | PL pro |
| -9.8 | 6m2n | DB01339 | Vecuronium | BGSZAXLLHYERSY-XQIGCQGXSA-N | 3CL pro |
| -9.8 | 6m2n | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | 3CL pro |
| -9.8 | 6lxt | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | S2 unit |
| -9.8 | 6w4h | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | nsp16 - nsp10 |
| -9.8 | 6m3m | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | PL pro |
| -9.8 | 6m2n | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | 3CL pro |
| -9.8 | 6m3m | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | nucleocapsid protein |
| -9.8 | 6vxx | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | 3CL pro |
| -9.8 | 6m3m | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | PL pro |
| -9.8 | 6lxt | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | S2 unit |
| -9.8 | 6vxx | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB14917 | Ceralasertib | DTTJKLNXNZAVSM-JYCIKRDWSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | PL pro |
| -9.8 | 6m2n | DB12002 | AZD-4818 | HVTUHSABWJPWNK-SFHVURJKSA-N | 3CL pro |
| -9.8 | 6m2n | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m2n | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m2n | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | 3CL pro |
| -9.8 | 6m3m | DB03723 | 2'-Deoxy-Thymidine-Beta-L-Rhamnose | ZOSQFDVXNQFKBY-CGAXJHMRSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m2n | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m3m | DB14097 | 13-cis-12-(3'-Carboxyphenyl)retinoic acid | XKKDQOHDTASHCE-PAZAWXFKSA-N | nucleocapsid protein |
| -9.8 | 6lxt | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | S2 unit |
| -9.8 | 6m3m | DB05990 | Obeticholic acid | ZXERDUOLZKYMJM-ZWECCWDJSA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | PL pro |
| -9.8 | 6crv | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6vxs | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6crv | DB00220 | Nelfinavir | QAGYKUNXZHXKMR-HKWSIXNMSA-N | spike glycoprotein |
| -9.8 | 6crv | DB06409 | Morphine glucuronide | GNJCUHZOSOYIEC-GAROZEBRSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | 3CL pro |
| -9.8 | 6crv | DB01604 | Pivampicillin | ZEMIJUDPLILVNQ-ZXFNITATSA-N | spike glycoprotein |
| -9.8 | 6vxs | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6m3m | DB14876 | TAS-116 | NVVPMZUGELHVMH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB14774 | Balipodect | KVHRYLNQDWXAGI-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6vxx | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB14037 | Madecassic acid | PRAUVHZJPXOEIF-AOLYGAPISA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | PL pro |
| -9.8 | 6crv | DB14218 | Telotristat | NCLGDOBQAWBXRA-PGRDOPGGSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB15391 | Elenbecestat | AACUJFVOHGRMTR-DPXNYUHVSA-N | ACE2 area for S-protein binding |
| -9.8 | 6m3m | DB00699 | Nicergoline | YSEXMKHXIOCEJA-FVFQAYNVSA-N | nucleocapsid protein |
| -9.8 | 7bv1 | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6vxx | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | nucleocapsid protein |
| -9.8 | 6m3m | DB05470 | VX-702 | FYSRKRZDBHOFAY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB04853 | Binodenoson | XJFMHMFFBSOEPR-DNZQAUTHSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | 3CL pro |
| -9.8 | 6vxx | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB00694 | Daunorubicin | STQGQHZAVUOBTE-VGBVRHCVSA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB11814 | PF-03882845 | XNULRSOGWPFPBL-REWPJTCUSA-N | PL pro |
| -9.8 | 6crv | DB09272 | Eluxadoline | QFNHIDANIVGXPE-FNZWTVRRSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB11773 | BMS-903452 | OGIAVRWXUPYGGC-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6m2n | DB03199 | 4-Methoxy-E-Rhodomycin T | XSSVYBYWQBNYOH-QJIXERIWSA-N | 3CL pro |
| -9.8 | 6vxx | DB12279 | OBP-801 | XFLBOEMFLGLWFF-HDXRNPEWSA-N | spike glycoprotein |
| -9.8 | 6crv | DB06420 | Annamycin | CIDNKDMVSINJCG-GKXONYSUSA-N | spike glycoprotein |
| -9.8 | 6vxs | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6m2n | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | 3CL pro |
| -9.8 | 6m2n | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | 3CL pro |
| -9.8 | 6vxx | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB15063 | Inarigivir soproxil | CJCYTUJOSMYXLE-JDLSZIHUSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB14845 | Filgotinib | RIJLVEAXPNLDTC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6m2n | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6lxt | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | S2 unit |
| -9.8 | 6w9c | DB04131 | 10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione | BLGDWFJQIHBUJY-NWJGULHDSA-N | PL pro |
| -9.8 | 6m2n | DB00878 | Chlorhexidine | GHXZTYHSJHQHIJ-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6crv | DB13371 | Difenpiramide | PWHROYKAGRUWDQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 7bv1 | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6vxx | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | 3CL pro |
| -9.8 | 6vxx | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w9c | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | PL pro |
| -9.8 | 6vxx | DB02573 | 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate | LYWWDKIADIGKTH-IDMWBNCISA-N | spike glycoprotein |
| -9.8 | 6crv | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB05511 | Piclidenoson | HUJXGQILHAUCCV-MOROJQBDSA-N | nucleocapsid protein |
| -9.8 | 6crv | DB08899 | Enzalutamide | WXCXUHSOUPDCQV-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | 3CL pro |
| -9.8 | 6w9c | DB06677 | Clazosentan | LFWCJABOXHSRGC-UHFFFAOYSA-N | PL pro |
| -9.8 | 6m2n | DB04131 | 10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione | BLGDWFJQIHBUJY-NWJGULHDSA-N | 3CL pro |
| -9.8 | 6crv | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | spike glycoprotein |
| -9.8 | 6w4h | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6vxs | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6w9c | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | PL pro |
| -9.8 | 6vxx | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | 3CL pro |
| -9.8 | 6crv | DB08561 | BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE | PLBINCOCFGQAJM-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6w9c | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | PL pro |
| -9.8 | 6m2n | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6crv | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6lxt | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | S2 unit |
| -9.8 | 6vxx | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6w4h | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | nsp16 - nsp10 |
| -9.8 | 6vxx | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | spike glycoprotein |
| -9.8 | 6lzg | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.8 | 6crv | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB13919 | Candesartan | HTQMVQVXFRQIKW-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6vxx | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 7bv1 | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6cs2 | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6crv | DB07665 | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | STHCHQXQLDMISY-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6crv | DB14898 | Retagliptin | WIIAMRXFUJLYEF-SNVBAGLBSA-N | spike glycoprotein |
| -9.8 | 6lxt | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | S2 unit |
| -9.8 | 6cs2 | DB06834 | N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide | XZRYCTLOGNCQDG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6crv | DB13024 | MK-8245 | UJEAABFSXKCSGI-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB12412 | Gemigliptin | ZWPRRQZNBDYKLH-VIFPVBQESA-N | nucleocapsid protein |
| -9.8 | 6m2n | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | 3CL pro |
| -9.8 | 6crv | DB08745 | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | QLHUDNKWOSQSMK-CXUHLZMHSA-N | spike glycoprotein |
| -9.8 | 6vxx | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | spike glycoprotein |
| -9.8 | 6m3m | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 6w9c | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | PL pro |
| -9.8 | 6vxx | DB02510 | '5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine | LKVJEMXWEODCAY-JVEUSOJLSA-N | spike glycoprotein |
| -9.8 | 6m2n | DB01177 | Idarubicin | XDXDZDZNSLXDNA-TZNDIEGXSA-N | 3CL pro |
| -9.8 | 6vxs | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6w9c | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | PL pro |
| -9.8 | 6m2n | DB06347 | Cenisertib | KSOVGRCOLZZTPF-QMKUDKLTSA-N | 3CL pro |
| -9.8 | 6m3m | DB07063 | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | KYHVTMFADJNSGS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.8 | 7bv1 | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6vxx | DB06176 | Romidepsin | OHRURASPPZQGQM-GCCNXGTGSA-N | spike glycoprotein |
| -9.8 | 6lxt | DB01933 | 7-Hydroxystaurosporine | PBCZSGKMGDDXIJ-HQCWYSJUSA-N | S2 unit |
| -9.8 | 6m2n | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | 3CL pro |
| -9.8 | 6crv | DB05039 | Indacaterol | QZZUEBNBZAPZLX-QFIPXVFZSA-N | spike glycoprotein |
| -9.8 | 6crv | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | spike glycoprotein |
| -9.8 | 6vxs | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | ribose phosphatase of NSP3 |
| -9.8 | 6vxx | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | spike glycoprotein |
| -9.8 | 6crv | DB05212 | HE3286 | JJKOQZHWYLMASZ-FJWDNACWSA-N | spike glycoprotein |
| -9.8 | 6cs2 | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.8 | 6vxx | DB07716 | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL | VDRIXSJOPKVWKM-HXGIDPQASA-N | spike glycoprotein |
| -9.8 | 6m3m | DB02360 | Bis-Napthyl Beta-Ketophosphonic Acid | OFHMUASCSJJNNA-JOCHJYFZSA-N | nucleocapsid protein |
| -9.8 | 6w4h | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.8 | 6w4h | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | nsp16 - nsp10 |
| -9.8 | 7bv1 | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.8 | 6crv | DB07786 | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | SMFRBBHLVBWHGB-DJJJIMSYSA-N | spike glycoprotein |
| -9.7 | 6cs2 | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6crv | DB12494 | SGI-1776 | MHXGEROHKGDZGO-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB00932 | Tipranavir | SUJUHGSWHZTSEU-FYBSXPHGSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | nucleocapsid protein |
| -9.7 | 6crv | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB12041 | Mapracorat | VJGFOYBQOIPQFY-XMMPIXPASA-N | spike glycoprotein |
| -9.7 | 6m2n | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | 3CL pro |
| -9.7 | 6m3m | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | nucleocapsid protein |
| -9.7 | 6m71 | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6vxs | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m2n | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6crv | DB08064 | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | NTMADESEDXKNFZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB03159 | CRA_8696 | GAVRMVQHHVMXFD-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB02732 | Nicotinamide Adenine Dinucleotide Acetone Adduct | SGHBFOOIAAJJMI-YDKVLQLQSA-N | 3CL pro |
| -9.7 | 6vxx | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB11921 | Deflazacort | FBHSPRKOSMHSIF-GRMWVWQJSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB01108 | Trilostane | KVJXBPDAXMEYOA-CXANFOAXSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB08510 | 5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE | UVTGFMKBPVLATL-DSOJQRAMSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB04405 | 2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid | AQYSXARQCHHHLK-NRFANRHFSA-N | spike glycoprotein |
| -9.7 | 6vxs | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6crv | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB06985 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | MEAQCLPMSVEOQF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | 3CL pro |
| -9.7 | 6m3m | DB13223 | Fluocortin | PUWHHWCHAVXSIG-NCLPIGKXSA-N | nucleocapsid protein |
| -9.7 | 6cs2 | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | ACE2 area for S-protein binding |
| -9.7 | 6vxx | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | spike glycoprotein |
| -9.7 | 6lzg | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.7 | 6m2n | DB08882 | Linagliptin | LTXREWYXXSTFRX-QGZVFWFLSA-N | 3CL pro |
| -9.7 | 7bv1 | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6crv | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB14821 | Macozinone | BJDZBXGJNBMCAV-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB00588 | Fluticasone propionate | WMWTYOKRWGGJOA-CENSZEJFSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB08350 | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE | GYQRHHQPEMOLKH-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m71 | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6m3m | DB03678 | (6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine | WVGZKPGUHOZIJQ-HNNXBMFYSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB04872 | Osanetant | DZOJBGLFWINFBF-UMSFTDKQSA-N | PL pro |
| -9.7 | 6w9c | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | PL pro |
| -9.7 | 7bv1 | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6crv | DB03944 | 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One | IZLRMTJLQCLMKF-CYBMUJFWSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB01668 | Nanaomycin D | XUWPJKDMEZSVTP-UOSCCXBLSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB07949 | ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID | BFQRPTKOSYMPOL-LALPNIDTSA-N | 3CL pro |
| -9.7 | 6vxx | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | spike glycoprotein |
| -9.7 | 6crv | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6m3m | DB14929 | Elsulfavirine | ULTDEARCBRNRGR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6m3m | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6vxs | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m3m | DB00741 | Hydrocortisone | JYGXADMDTFJGBT-VWUMJDOOSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | 3CL pro |
| -9.7 | 6vxx | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB11950 | Teneligliptin | WGRQANOPCQRCME-PMACEKPBSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB12025 | Triptolide | DFBIRQPKNDILPW-CIVMWXNOSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB11966 | BMS-986094 | YFXGICNMLCGLHJ-RSKRLRQZSA-N | 3CL pro |
| -9.7 | 6crv | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB02621 | Latrunculin A | DDVBPZROPPMBLW-IZGXTMSKSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | PL pro |
| -9.7 | 6m2n | DB02411 | 2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2 | HOUHLOFMBSYNBO-KKUQBAQOSA-N | 3CL pro |
| -9.7 | 6w4h | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | nsp16 - nsp10 |
| -9.7 | 6w9c | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | PL pro |
| -9.7 | 6lzg | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.7 | 6crv | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | spike glycoprotein |
| -9.7 | 6crv | DB06942 | N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide | RNZKCCPFUWHBFY-IBGZPJMESA-N | spike glycoprotein |
| -9.7 | 6m2n | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6vxx | DB06732 | beta-Naphthoflavone | OUGIDAPQYNCXRA-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB15108 | Tipranavir C-14 | SUJUHGSWHZTSEU-MWQIXQBFSA-N | nucleocapsid protein |
| -9.7 | 6m71 | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6m3m | DB05171 | E-2012 | PUOAETJYKQITMO-LANLRWRYSA-N | nucleocapsid protein |
| -9.7 | 6cs2 | DB09183 | Dasabuvir | NBRBXGKOEOGLOI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6crv | DB02466 | 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid | ZXQHMEUGMCXKLO-KPKJPENVSA-N | spike glycoprotein |
| -9.7 | 6crv | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | spike glycoprotein |
| -9.7 | 6lxt | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | S2 unit |
| -9.7 | 6w4h | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | nsp16 - nsp10 |
| -9.7 | 6m2n | DB00590 | Doxazosin | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6vxx | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | PL pro |
| -9.7 | 7bv1 | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6m71 | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6m2n | DB08912 | Dabrafenib | BFSMGDJOXZAERB-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6vxx | DB08607 | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | GXPHKUHSUJUWKP-NTKDMRAZSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6w4h | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | nsp16 - nsp10 |
| -9.7 | 6m3m | DB02115 | Daidzin | KYQZWONCHDNPDP-QNDFHXLGSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB15108 | Tipranavir C-14 | SUJUHGSWHZTSEU-MWQIXQBFSA-N | spike glycoprotein |
| -9.7 | 6crv | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB08997 | Dexetimide | LQQIVYSCPWCSSD-HSZRJFAPSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB14152 | Ginsenosides | NLHQJXWYMZLQJY-SWIZOJJJSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB02155 | Balanol Analog 8 | XVLMXAUKCDSMMW-YXLARRHKSA-N | 3CL pro |
| -9.7 | 6crv | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w4h | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.7 | 6crv | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB15157 | Voruciclib | MRPGRAKIAJJGMM-OCCSQVGLSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB12127 | Sultamicillin | OPYGFNJSCUDTBT-PMLPCWDUSA-N | 3CL pro |
| -9.7 | 6m3m | DB09124 | Medrogestone | HCFSGRMEEXUOSS-JXEXPEPMSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6cs2 | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | ACE2 area for S-protein binding |
| -9.7 | 6cs2 | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6w9c | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m3m | DB02118 | CP-271485 | CIUMOGWIMXNXSQ-GOSISDBHSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB11616 | Pirarubicin | KMSKQZKKOZQFFG-YXRRJAAWSA-N | 3CL pro |
| -9.7 | 6crv | DB07806 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | UDMBRVGTYILYDX-SVFBPWRDSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB08449 | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid | IEVFQDJUDLCOQY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | 3CL pro |
| -9.7 | 6crv | DB07024 | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE | CEXBEGBNDJVZPK-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB08459 | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | SVMHTBVIPYVDIL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6w4h | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | nsp16 - nsp10 |
| -9.7 | 6m2n | DB06624 | Taranabant | QLYKJCMUNUWAGO-GAJHUEQPSA-N | 3CL pro |
| -9.7 | 6cs2 | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6vxx | DB06311 | Darapladib | WDPFJWLDPVQCAJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB01661 | 1-(5-phospho-D-ribosyl)-ATP | RKNHJBVBFHDXGR-MRUDJCSFSA-N | 3CL pro |
| -9.7 | 6m2n | DB00948 | Mezlocillin | YPBATNHYBCGSSN-VWPFQQQWSA-N | 3CL pro |
| -9.7 | 6w9c | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | PL pro |
| -9.7 | 6w4h | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.7 | 6w9c | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | PL pro |
| -9.7 | 6m3m | DB05667 | Levoketoconazole | XMAYWYJOQHXEEK-ZEQKJWHPSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB09233 | Cronidipine | CNIJVNPIIHWRRP-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB03383 | 5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide | YDCGVASFVACWKF-NRFANRHFSA-N | spike glycoprotein |
| -9.7 | 6crv | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB04098 | Balanol | XYUFCXJZFZPEJD-PGRDOPGGSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | PL pro |
| -9.7 | 6m3m | DB15120 | GSK-239512 | YFRBKEVUUCQYOW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxs | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m3m | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB05212 | HE3286 | JJKOQZHWYLMASZ-FJWDNACWSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB01177 | Idarubicin | XDXDZDZNSLXDNA-TZNDIEGXSA-N | PL pro |
| -9.7 | 6lxt | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | S2 unit |
| -9.7 | 6m3m | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB05838 | OPC-51803 | INGXCNVWWKKWOO-LJQANCHMSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB13981 | Nomegestrol acetate | IIVBFTNIGYRNQY-YQLZSBIMSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB11814 | PF-03882845 | XNULRSOGWPFPBL-REWPJTCUSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB01260 | Desonide | WBGKWQHBNHJJPZ-LECWWXJVSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6cs2 | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | ACE2 area for S-protein binding |
| -9.7 | 6w9c | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | PL pro |
| -9.7 | 7bv1 | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6vxx | DB14068 | Dexniguldipine | SVJMLYUFVDMUHP-MGBGTMOVSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB02300 | Calcipotriol | LWQQLNNNIPYSNX-UROSTWAQSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | spike glycoprotein |
| -9.7 | 6m71 | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6cs2 | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6m3m | DB06660 | Saredutant | PGKXDIMONUAMFR-AREMUKBSSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB06652 | Vicriviroc | CNPVJJQCETWNEU-CYFREDJKSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB12165 | Presatovir | GOFXWTVKPWJNGD-UWJYYQICSA-N | 3CL pro |
| -9.7 | 6m2n | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | 3CL pro |
| -9.7 | 6lxt | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | S2 unit |
| -9.7 | 6w9c | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | PL pro |
| -9.7 | 6crv | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB13685 | Quingestanol | PCJFRMOEZQQSAX-AIOSZGMZSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | PL pro |
| -9.7 | 6crv | DB15106 | Surufatinib | TTZSNFLLYPYKIL-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | spike glycoprotein |
| -9.7 | 6crv | DB07219 | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | OMQNYWZURFTFHE-MQBSTWLZSA-N | spike glycoprotein |
| -9.7 | 6lxt | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | S2 unit |
| -9.7 | 6m2n | DB14218 | Telotristat | NCLGDOBQAWBXRA-PGRDOPGGSA-N | 3CL pro |
| -9.7 | 6crv | DB13682 | Cefpirome | DKOQGJHPHLTOJR-WHRDSVKCSA-N | spike glycoprotein |
| -9.7 | 7bv1 | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6m3m | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB00693 | Fluorescein | GNBHRKFJIUUOQI-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m3m | DB06677 | Clazosentan | LFWCJABOXHSRGC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6cs2 | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | ACE2 area for S-protein binding |
| -9.7 | 6crv | DB06732 | beta-Naphthoflavone | OUGIDAPQYNCXRA-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 7bv1 | DB14876 | TAS-116 | NVVPMZUGELHVMH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6crv | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB00637 | Astemizole | GXDALQBWZGODGZ-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6w9c | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | PL pro |
| -9.7 | 6w9q | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.7 | 6crv | DB00596 | Ulobetasol | LEHFPXVYPMWYQD-XHIJKXOTSA-N | spike glycoprotein |
| -9.7 | 6cs2 | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | ACE2 area for S-protein binding |
| -9.7 | 6crv | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB15029 | AZD-8186 | LMJFJIDLEAWOQJ-CQSZACIVSA-N | spike glycoprotein |
| -9.7 | 6crv | DB03186 | U-Pi-a-Pi | JIAJERGOUFOENU-LNAOLWRRSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | spike glycoprotein |
| -9.7 | 6cs2 | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6w4h | DB00590 | Doxazosin | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.7 | 6crv | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | RUUOIINPNMNPIU-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB00591 | Fluocinolone acetonide | FEBLZLNTKCEFIT-VSXGLTOVSA-N | spike glycoprotein |
| -9.7 | 6crv | DB15362 | LSZ-102 | SJXNPGGVGZXKKI-NYYWCZLTSA-N | spike glycoprotein |
| -9.7 | 6crv | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB08051 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | XXRHRPGYYNOBHO-QGZVFWFLSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | nucleocapsid protein |
| -9.7 | 6w4h | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | nsp16 - nsp10 |
| -9.7 | 6crv | DB08549 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | MFDBNNQUDZFSES-KRWDZBQOSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB00354 | Buclizine | MOYGZHXDRJNJEP-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB03159 | CRA_8696 | GAVRMVQHHVMXFD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxs | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m2n | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | 3CL pro |
| -9.7 | 6crv | DB14652 | Clocortolone acetate | ARPLCFGLEYFDCN-CDACMRRYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | PL pro |
| -9.7 | 6vxx | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | spike glycoprotein |
| -9.7 | 6cs2 | DB04842 | Fluspirilene | QOYHHIBFXOOADH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6m3m | DB06446 | Dotarizine | LRMJAFKKJLRDLE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6lxt | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | S2 unit |
| -9.7 | 6lxt | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | S2 unit |
| -9.7 | 6vxx | DB06364 | XR5944 | SFOADSRLCHRTKT-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB00301 | Flucloxacillin | UIOFUWFRIANQPC-JKIFEVAISA-N | spike glycoprotein |
| -9.7 | 6crv | DB15297 | Petesicatib | KXAAIORSMACJSI-AEFFLSMTSA-N | spike glycoprotein |
| -9.7 | 7bv1 | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6lzg | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.7 | 6m2n | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6crv | DB00450 | Droperidol | RMEDXOLNCUSCGS-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB02341 | Mdl 101,146 | XQAMVCHQGHAELT-YPAWHYETSA-N | spike glycoprotein |
| -9.7 | 6crv | DB06837 | (2R)-N-4-hydroxy-2-(3-hydroxybenzyl)-N-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide | VXDKQRWTOJFQKH-BJZITVGISA-N | spike glycoprotein |
| -9.7 | 6m2n | DB11796 | Fostemsavir | SWMDAPWAQQTBOG-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6w9c | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | PL pro |
| -9.7 | 6m3m | DB00896 | Rimexolone | QTTRZHGPGKRAFB-OOKHYKNYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB08499 | N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | DQXBKUVWJSZHSI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB15132 | AZD-8165 | YUHNXUAATAMVKD-PZJWPPBQSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB04690 | Camptothecin | VSJKWCGYPAHWDS-FQEVSTJZSA-N | PL pro |
| -9.7 | 6crv | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB09230 | Azelnidipine | ZKFQEACEUNWPMT-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6m3m | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6cs2 | DB12320 | Palovarotene | YTFHCXIPDIHOIA-DHZHZOJOSA-N | ACE2 area for S-protein binding |
| -9.7 | 7bv1 | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6m2n | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | 3CL pro |
| -9.7 | 6m2n | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | 3CL pro |
| -9.7 | 6m2n | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | 3CL pro |
| -9.7 | 6vxx | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | spike glycoprotein |
| -9.7 | 6m3m | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | PL pro |
| -9.7 | 6vxx | DB15169 | H3B-6527 | MBWRLLRCTIYXDW-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6cs2 | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6crv | DB05423 | ORG-34517 | DFELGYQKEOCHOA-BZAFBGKRSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | 3CL pro |
| -9.7 | 6lzg | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | Spike - human ACE2-SLC6A19 complex |
| -9.7 | 6crv | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB01357 | Mestranol | IMSSROKUHAOUJS-MJCUULBUSA-N | spike glycoprotein |
| -9.7 | 7bv1 | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6vxx | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | 3CL pro |
| -9.7 | 6w4h | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.7 | 6w4h | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | nsp16 - nsp10 |
| -9.7 | 6cs2 | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6m3m | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB12590 | Indiplon | CBIAWPMZSFFRGN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | 3CL pro |
| -9.7 | 6w9c | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m3m | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6lxt | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | S2 unit |
| -9.7 | 6w9c | DB06634 | Casopitant | XGGTZCKQRWXCHW-WMTVXVAQSA-N | PL pro |
| -9.7 | 6m3m | DB08710 | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE | BKZOQCGDCHOGOQ-MZLJFPOFSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | PL pro |
| -9.7 | 6crv | DB15071 | Omidenepag isopropyl | VIQCWEGEHRBLAC-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB05255 | Ronacaleret | FQJISUPNMFRIFZ-HXUWFJFHSA-N | spike glycoprotein |
| -9.7 | 6cs2 | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6w9c | DB13164 | Olmutinib | FDMQDKQUTRLUBU-UHFFFAOYSA-N | PL pro |
| -9.7 | 6w9c | DB09215 | Droxicam | OEHFRZLKGRKFAS-UHFFFAOYSA-N | PL pro |
| -9.7 | 6crv | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | 3CL pro |
| -9.7 | 6w9c | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | PL pro |
| -9.7 | 6vxx | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB07422 | (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | MMNRWNREMUMYQG-INIZCTEOSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB11645 | PF-4191834 | DVNQWYLVSNPCJZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB14646 | Prednisone acetate | MOVRKLZUVNCBIP-RFZYENFJSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB13728 | Halometasone | GGXMRPUKBWXVHE-MIHLVHIWSA-N | PL pro |
| -9.7 | 6vxx | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB15269 | ALK-4290 | DWKNOLCXIFYNFV-HSZRJFAPSA-N | 3CL pro |
| -9.7 | 6vxs | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m3m | DB12141 | Gilteritinib | GYQYAJJFPNQOOW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB08762 | O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID | UPJNMOBJDSFRTI-FCEWJHQRSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB07252 | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | TZHCXOMEOHEZDX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB14035 | Englitazone | MVDXXGIBARMXSA-PYUWXLGESA-N | spike glycoprotein |
| -9.7 | 6m2n | DB14723 | Larotrectinib | NYNZQNWKBKUAII-KBXCAEBGSA-N | 3CL pro |
| -9.7 | 6w9c | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | PL pro |
| -9.7 | 6crv | DB14993 | Pyrotinib | SADXACCFNXBCFY-IYNHSRRRSA-N | spike glycoprotein |
| -9.7 | 6crv | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB04704 | 20-hydroxycholesterol | MCKLJFJEQRYRQT-MGNSQDQZSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | PL pro |
| -9.7 | 6w9c | DB14774 | Balipodect | KVHRYLNQDWXAGI-UHFFFAOYSA-N | PL pro |
| -9.7 | 6cs2 | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6m2n | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6m3m | DB12740 | CC-115 | GMYLVKUGJMYTFB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6lzg | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.7 | 6m3m | DB08742 | 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z) | CEEUUHVULXTFGS-BQXVGYHGSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB01337 | Pancuronium | GVEAYVLWDAFXET-XGHATYIMSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | PL pro |
| -9.7 | 6lxt | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | S2 unit |
| -9.7 | 6m3m | DB00436 | Bendroflumethiazide | HDWIHXWEUNVBIY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB04651 | BIOTINOL-5-AMP | KBOGUFFJCBPJEH-SQGSUPJISA-N | spike glycoprotein |
| -9.7 | 6crv | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | spike glycoprotein |
| -9.7 | 7bv1 | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6lxt | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | S2 unit |
| -9.7 | 6w9c | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | PL pro |
| -9.7 | 6crv | DB12149 | S-3304 | YWCLDDLVLSQGSZ-JOCHJYFZSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB08561 | BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE | PLBINCOCFGQAJM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | nucleocapsid protein |
| -9.7 | 7bv1 | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6vxs | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m71 | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6crv | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6m2n | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6w9c | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m2n | DB04158 | 6-(Adenosine Tetraphosphate-Methyl)-7,8-Dihydropterin | ZKRKFZJAQKKHKL-SUGPNEFASA-N | 3CL pro |
| -9.7 | 6cs2 | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6m3m | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6w4h | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | nsp16 - nsp10 |
| -9.7 | 6lxt | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | S2 unit |
| -9.7 | 6w9c | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | PL pro |
| -9.7 | 6vxx | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB12085 | LCL-161 | UFPFGVNKHCLJJO-SSKFGXFMSA-N | PL pro |
| -9.7 | 6w9c | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | PL pro |
| -9.7 | 6crv | DB13158 | Clobetasone | XXIFVOHLGBURIG-OZCCCYNHSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB04696 | 4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN | GFGZCXHXQCQRFP-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB04793 | 1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol | DKBAWRNTUZFJKV-XMTFNYHQSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | PL pro |
| -9.7 | 6m2n | DB07450 | (R)-minalrestat | BMHZAHGTGIZZCT-LJQANCHMSA-N | 3CL pro |
| -9.7 | 6crv | DB04879 | Vatalanib | YCOYDOIWSSHVCK-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | spike glycoprotein |
| -9.7 | 6m3m | DB15268 | Afabicin | HFYMDQMXVPJNTH-VQHVLOKHSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | 3CL pro |
| -9.7 | 6m2n | DB12705 | Cenerimod | KJKKMMMRWISKRF-FQEVSTJZSA-N | 3CL pro |
| -9.7 | 6m3m | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m3m | DB07692 | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine | SHWNKRPMUBFWKE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6w4h | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.7 | 6vxx | DB14568 | Ivosidenib | WIJZXSAJMHAVGX-DHLKQENFSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6m3m | DB07678 | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL | ANAMDWGJXBYJEB-OPWFCKQNSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | PL pro |
| -9.7 | 6crv | DB01691 | Indole Naphthyridinone | VAZMNDXVXVUKFY-JXMROGBWSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB12272 | Vidupiprant | PFWVGKROPKKEDW-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | PL pro |
| -9.7 | 6wiq | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | nsp7-nsp8 |
| -9.7 | 6m3m | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB01737 | Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester | YAEIKQDHLCFGAA-KRWDZBQOSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB14993 | Pyrotinib | SADXACCFNXBCFY-IYNHSRRRSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | PL pro |
| -9.7 | 6crv | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB11903 | GW842166 | TWQYWUXBZHPIIV-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | PL pro |
| -9.7 | 6m3m | DB14653 | Clocortolone caproate | MMTRTBFDFNRBQO-ANHDKODLSA-N | nucleocapsid protein |
| -9.7 | 6vxs | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6w9c | DB06744 | ginkgolide-B | SQOJOAFXDQDRGF-MMQTXUMRSA-N | PL pro |
| -9.7 | 6crv | DB13552 | Trifluperidol | GPMXUUPHFNMNDH-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | spike glycoprotein |
| -9.7 | 6m71 | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6m3m | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6cs2 | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6m3m | DB14655 | Drostanolone propionate | NOTIQUSPUUHHEH-UXOVVSIBSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | PL pro |
| -9.7 | 6vxx | DB11934 | Epelsiban | UWHCWRQFNKUYCG-QUZACWSFSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | PL pro |
| -9.7 | 6crv | DB11591 | Bilastine | ACCMWZWAEFYUGZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | PL pro |
| -9.7 | 6m3m | DB14889 | Derazantinib | KPJDVVCDVBFRMU-AREMUKBSSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB03480 | Brequinar Analog | WYKKHJQZENLZID-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6vxs | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m3m | DB01336 | Metocurine | JFXBEKISTKFVAB-AJQTZOPKSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB15102 | Pemigatinib | HCDMJFOHIXMBOV-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6vxx | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB07325 | N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | VCOKUBHAJVTVNG-FMIVXFBMSA-N | spike glycoprotein |
| -9.7 | 6crv | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6w9c | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | PL pro |
| -9.7 | 6crv | DB04903 | Pagoclone | HIUPRQPBWVEQJJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB12724 | AZD-7295 | MAQDQJWCSSCURR-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6m3m | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB12388 | Evocalcet | RZNUIYPHQFXBAN-XLIONFOSSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB12426 | Bitopertin | YUUGYIUSCYNSQR-LBPRGKRZSA-N | spike glycoprotein |
| -9.7 | 6vxs | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6w9c | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | PL pro |
| -9.7 | 6w9c | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m3m | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB13866 | Etynodiol | JYILPERKVHXLNF-QMNUTNMBSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | PL pro |
| -9.7 | 6vxx | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB12419 | HSD-016 | ZWASRJHIEFYJGL-BFUOFWGJSA-N | PL pro |
| -9.7 | 6crv | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB07537 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide | CLEGTVIMOPPIBR-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | PL pro |
| -9.7 | 6vxx | DB03869 | 5'-O-(N-(L-Seryl)-Sulfamoyl)Adenosine | HQXFJGONGJPTLZ-YTMOPEAISA-N | spike glycoprotein |
| -9.7 | 6m3m | DB15209 | MK-0736 | ORQZQBUNAMJFCY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6cs2 | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | ACE2 area for S-protein binding |
| -9.7 | 6w4h | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | nsp16 - nsp10 |
| -9.7 | 6vxx | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | spike glycoprotein |
| -9.7 | 6vxx | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB13002 | HKI-357 | NERXPXBELDBEPZ-RMKNXTFCSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | PL pro |
| -9.7 | 6crv | DB11706 | Raxatrigine | JESCETIFNOFKEU-SJORKVTESA-N | spike glycoprotein |
| -9.7 | 6crv | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | nucleocapsid protein |
| -9.7 | 6crv | DB15121 | AT-001 | YRGPAXAVTDMKDK-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m2n | DB05667 | Levoketoconazole | XMAYWYJOQHXEEK-ZEQKJWHPSA-N | 3CL pro |
| -9.7 | 6m3m | DB02331 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | YBULOUKTPCHXAL-DEOSSOPVSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB08039 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | LOGJQOUIVKBFGH-YBEGLDIGSA-N | nucleocapsid protein |
| -9.7 | 6w4h | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | nsp16 - nsp10 |
| -9.7 | 6m71 | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6m3m | DB07081 | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | FDEXEPZGMKFCTG-PSASIEDQSA-N | nucleocapsid protein |
| -9.7 | 6vxx | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | spike glycoprotein |
| -9.7 | 6m3m | DB14633 | Prednisolone hemisuccinate | APGDTXUMTIZLCJ-CGVGKPPMSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB15029 | AZD-8186 | LMJFJIDLEAWOQJ-CQSZACIVSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB15450 | PF-05105679 | BXNMZRPTQFVRFA-QGZVFWFLSA-N | PL pro |
| -9.7 | 6crv | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w4h | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.7 | 6crv | DB08739 | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | ZSXNPAWXICXNGZ-HNNXBMFYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB01561 | Androstanedione | RAJWOBJTTGJROA-WZNAKSSCSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB12858 | LY-377604 | RBSGUQYXRDKPAE-QFIPXVFZSA-N | 3CL pro |
| -9.7 | 6w9c | DB02804 | A-98881 | PMBZSBGCSQGJAQ-GRKNLSHJSA-N | PL pro |
| -9.7 | 6m3m | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6cs2 | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -9.7 | 6m3m | DB07144 | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | XZXVRKHUCSXVBM-AWEZNQCLSA-N | nucleocapsid protein |
| -9.7 | 6m71 | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6w4h | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | nsp16 - nsp10 |
| -9.7 | 6w9c | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | PL pro |
| -9.7 | 6m3m | DB08003 | ISOTHIAZOLIDINONE ANALOG | UILYPHAKDBTKQV-UFYCRDLUSA-N | nucleocapsid protein |
| -9.7 | 7bv1 | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6crv | DB07252 | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | TZHCXOMEOHEZDX-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB06346 | Fiboflapon | DFQGDHBGRSTTHX-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB01669 | Virginiamycin M1 | DAIKHDNSXMZDCU-FQTGFAPKSA-N | PL pro |
| -9.7 | 6vxs | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m3m | DB12002 | AZD-4818 | HVTUHSABWJPWNK-SFHVURJKSA-N | nucleocapsid protein |
| -9.7 | 6cs2 | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | ACE2 area for S-protein binding |
| -9.7 | 6m3m | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | nucleocapsid protein |
| -9.7 | 6m2n | DB12548 | Sparsentan | WRFHGDPIDHPWIQ-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6vxs | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6crv | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | spike glycoprotein |
| -9.7 | 6crv | DB07183 | N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide | CPVRYQAOUPSUDO-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB07008 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | XPXGYINSBORUMM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | PL pro |
| -9.7 | 6w9c | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | PL pro |
| -9.7 | 6cs2 | DB07457 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | APYXQTXFRIDSGE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6vxs | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6vxs | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6w9c | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | PL pro |
| -9.7 | 6m3m | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB12006 | BMS-906024 | AYOUDDAETNMCBW-GSHUGGBRSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | spike glycoprotein |
| -9.7 | 6crv | DB00977 | Ethinylestradiol | BFPYWIDHMRZLRN-SLHNCBLASA-N | spike glycoprotein |
| -9.7 | 6crv | DB06401 | Bazedoxifene | UCJGJABZCDBEDK-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | PL pro |
| -9.7 | 6m2n | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | 3CL pro |
| -9.7 | 6vxs | DB15269 | ALK-4290 | DWKNOLCXIFYNFV-HSZRJFAPSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6m3m | DB07066 | 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | LJAHIGGEXIWVJG-LLVKDONJSA-N | nucleocapsid protein |
| -9.7 | 6lzg | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.7 | 6vxx | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB14844 | ONC-201 | VLULRUCCHYVXOH-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB00932 | Tipranavir | SUJUHGSWHZTSEU-FYBSXPHGSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6w4h | DB08444 | 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile | YYGZQXRLQMFHDH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.7 | 6m3m | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB08407 | PLATENSIMYCIN | CSOMAHTTWTVBFL-OFBLZTNGSA-N | PL pro |
| -9.7 | 6vxx | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m3m | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB11701 | Amenamevir | MNHNIVNAFBSLLX-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m71 | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6crv | DB07856 | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE | HPWBHQIUIBFTQC-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB12306 | Cipargamin | CKLPLPZSUQEDRT-WPCRTTGESA-N | PL pro |
| -9.7 | 6m71 | DB12336 | GDC-0917 | HSHPBORBOJIXSQ-HARLFGEKSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6w9c | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | PL pro |
| -9.7 | 6w9c | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m71 | DB13003 | Cortivazol | RKHQGWMMUURILY-UHRZLXHJSA-N | nsp12-nsp7-nsp8 |
| -9.7 | 6crv | DB08138 | {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | BDRDBXXWQDFXEC-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6w4h | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.7 | 6m2n | DB07692 | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine | SHWNKRPMUBFWKE-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6cs2 | DB04373 | 4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | WQUBEIMCFHCJCO-AWCRTANDSA-N | ACE2 area for S-protein binding |
| -9.7 | 6crv | DB08834 | Tauroursodeoxycholic acid | BHTRKEVKTKCXOH-LBSADWJPSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | PL pro |
| -9.7 | 6vxx | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB06194 | Elocalcitol | LRLWXBHFPGSUOX-GJQYOBCGSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m3m | DB14625 | Meprednisone acetate | RZAMUHXEOMZXET-ABQXZQTJSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB12114 | Poziotinib | LPFWVDIFUFFKJU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB04609 | INHIBITOR Q8467 OF DUPONT MERCK | HFLCERPZYCWLSZ-VKONIRKNSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB04872 | Osanetant | DZOJBGLFWINFBF-UMSFTDKQSA-N | 3CL pro |
| -9.7 | 6cs2 | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.7 | 6vxx | DB12580 | Tradipitant | CAVRKWRKTNINFF-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6m3m | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | nucleocapsid protein |
| -9.7 | 6m3m | DB01564 | Calusterone | IVFYLRMMHVYGJH-PVPPCFLZSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | PL pro |
| -9.7 | 6crv | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | spike glycoprotein |
| -9.7 | 6vxx | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | spike glycoprotein |
| -9.7 | 6m2n | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | 3CL pro |
| -9.7 | 6m2n | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | 3CL pro |
| -9.7 | 6w9c | DB15031 | Nemorexant | NBGABHGMJVIVBW-QHCPKHFHSA-N | PL pro |
| -9.7 | 6lxt | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | S2 unit |
| -9.7 | 6m3m | DB12115 | AZD-9164 | FNYFFCOCVNTJCD-NNMXADRKSA-N | nucleocapsid protein |
| -9.7 | 6vxs | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | ribose phosphatase of NSP3 |
| -9.7 | 6w9c | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | PL pro |
| -9.7 | 6m2n | DB15238 | Olinciguat | YWQFJNWMWZMXRW-HXUWFJFHSA-N | 3CL pro |
| -9.7 | 6m3m | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB12327 | Salvinorin A | OBSYBRPAKCASQB-AGQYDFLVSA-N | spike glycoprotein |
| -9.7 | 6crv | DB09371 | Norethynodrel | ICTXHFFSOAJUMG-SLHNCBLASA-N | spike glycoprotein |
| -9.7 | 6w9c | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | PL pro |
| -9.7 | 6m3m | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.7 | 6w9c | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | PL pro |
| -9.7 | 6m2n | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | 3CL pro |
| -9.7 | 6m3m | DB14624 | Nandrolone hydrogen sulfate | SKZMVWBZTQNCKW-IZPLOLCNSA-N | nucleocapsid protein |
| -9.7 | 6crv | DB01100 | Pimozide | YVUQSNJEYSNKRX-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 7bv1 | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | nsp12-nsp7-nsp8 |
| -9.7 | 6crv | DB06169 | Indibulin | SOLIIYNRSAWTSQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.7 | 6crv | DB15222 | GS-6620 | YAAQYJCOIFNMKX-RSTNYOGXSA-N | spike glycoprotein |
| -9.7 | 6w9c | DB15407 | Acalisib | DOCINCLJNAXZQF-LBPRGKRZSA-N | PL pro |
| -9.6 | 6cs2 | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB02669 | RB106 | ZWDQTNWLXALTOV-QYZOEREBSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB05423 | ORG-34517 | DFELGYQKEOCHOA-BZAFBGKRSA-N | PL pro |
| -9.6 | 6cs2 | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB02388 | Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | UQFRSHRWRKYNDE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB14898 | Retagliptin | WIIAMRXFUJLYEF-SNVBAGLBSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | PL pro |
| -9.6 | 6vxx | DB08569 | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE | VLPMRZSKJUTRBQ-IBGZPJMESA-N | spike glycoprotein |
| -9.6 | 6vxx | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB13685 | Quingestanol | PCJFRMOEZQQSAX-AIOSZGMZSA-N | spike glycoprotein |
| -9.6 | 6lzg | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.6 | 6crv | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | 3CL pro |
| -9.6 | 6crv | DB08709 | 2,3-diphenyl-1H-indole-7-carboxylic acid | OLUDUXWVPIEHDA-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB08556 | 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID | CMHHNHDPPWDNAH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w4h | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6m2n | DB06755 | Beta carotene | OENHQHLEOONYIE-JLTXGRSLSA-N | 3CL pro |
| -9.6 | 6w9c | DB06281 | Torcetrapib | CMSGWTNRGKRWGS-NQIIRXRSSA-N | PL pro |
| -9.6 | 6crv | DB03788 | GC-24 | JYHIGYLGYNCMGI-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | PL pro |
| -9.6 | 6vxx | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 7bv1 | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | nsp12-nsp7-nsp8 |
| -9.6 | 6m3m | DB08500 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | ZCJBDRSKHARECB-PYTCMNEWSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB09047 | Finafloxacin | FYMHQCNFKNMJAV-HOTGVXAUSA-N | nucleocapsid protein |
| -9.6 | 6cs2 | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | ACE2 area for S-protein binding |
| -9.6 | 6cs2 | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB14899 | Tavapadon | AKQXQLUNFKDZBN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | 3CL pro |
| -9.6 | 6crv | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB09235 | Efonidipine | NSVFSAJIGAJDMR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB12764 | ABC-294640 | CAOTVXGYTWCKQE-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB03907 | N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-Benzamide | UHHBFOLQOQSPLU-WGRQDFERSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB02196 | Uridine-Diphosphate-N-Acetylgalactosamine | LFTYTUAZOPRMMI-NESSUJCYSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | PL pro |
| -9.6 | 6m71 | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6vxx | DB08305 | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | KQAGZLQCEURCKJ-QGZVFWFLSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB06248 | Amelubant | SBVYURPQULDJTI-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6w9c | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | PL pro |
| -9.6 | 6m3m | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB00977 | Ethinylestradiol | BFPYWIDHMRZLRN-SLHNCBLASA-N | nucleocapsid protein |
| -9.6 | 6crv | DB13471 | Nalfurafine | XGZZHZMWIXFATA-UEZBDDGYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | PL pro |
| -9.6 | 6w9c | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | PL pro |
| -9.6 | 6cs2 | DB12302 | CP-724714 | LLVZBTWPGQVVLW-SNAWJCMRSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB11656 | Rebamipide | ALLWOAVDORUJLA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB11592 | Nitrocefin | LHNIIDJCEODSHA-OQRUQETBSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB06809 | Plerixafor | YIQPUIGJQJDJOS-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB08931 | Riociguat | WXXSNCNJFUAIDG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w4h | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | nsp16 - nsp10 |
| -9.6 | 6w4h | DB01003 | Cromoglicic acid | IMZMKUWMOSJXDT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6lxt | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | S2 unit |
| -9.6 | 6crv | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | PL pro |
| -9.6 | 6crv | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | spike glycoprotein |
| -9.6 | 6m2n | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | 3CL pro |
| -9.6 | 6m3m | DB08834 | Tauroursodeoxycholic acid | BHTRKEVKTKCXOH-LBSADWJPSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB06677 | Clazosentan | LFWCJABOXHSRGC-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m3m | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB03837 | Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide | YUMYYTORLYHUFW-ZUDLOMHPSA-N | spike glycoprotein |
| -9.6 | 6crv | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB08833 | Taurochenodeoxycholic acid | BHTRKEVKTKCXOH-BJLOMENOSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | PL pro |
| -9.6 | 6vxx | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB09199 | Netoglitazone | PKWDZWYVIHVNKS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m3m | DB14862 | PF-06815345 | QTBYVAZRKWOIDU-FUHWJXTLSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB12857 | NVP-LEQ-506 | POERAARDVFVDLO-QGZVFWFLSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB06263 | Amrubicin | VJZITPJGSQKZMX-XDPRQOKASA-N | 3CL pro |
| -9.6 | 6m3m | DB01451 | 1-Androstenedione | WJIQCDPCDVWDDE-WZNAKSSCSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB05470 | VX-702 | FYSRKRZDBHOFAY-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6crv | DB07945 | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid | GKBQRPKZHUFGOB-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 7bv1 | DB12580 | Tradipitant | CAVRKWRKTNINFF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m3m | DB08816 | Ticagrelor | OEKWJQXRCDYSHL-FNOIDJSQSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB08268 | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | SPVJRTJUEVXOMS-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB04064 | Nogalaviketone | QHNJNOBWURJIEK-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB02411 | 2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2 | HOUHLOFMBSYNBO-KKUQBAQOSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB12436 | Vofopitant | XILNRORTJVDYRH-HKUYNNGSSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | PL pro |
| -9.6 | 7bv1 | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 7bv1 | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w9c | DB06401 | Bazedoxifene | UCJGJABZCDBEDK-UHFFFAOYSA-N | PL pro |
| -9.6 | 6vxs | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m3m | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | 3CL pro |
| -9.6 | 6w9c | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | PL pro |
| -9.6 | 6m3m | DB08498 | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | OVSAMUIBGQSLDC-INIZCTEOSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | PL pro |
| -9.6 | 6cs2 | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6cs2 | DB07743 | S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE | VNGWUVBXUIDQTK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m2n | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | 3CL pro |
| -9.6 | 6m2n | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6lxt | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | S2 unit |
| -9.6 | 6w9c | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | PL pro |
| -9.6 | 6w9c | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | PL pro |
| -9.6 | 6w9c | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | PL pro |
| -9.6 | 6vxx | DB06933 | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | GJTCKUKIFXWJKG-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | spike glycoprotein |
| -9.6 | 6vxs | DB08499 | N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | DQXBKUVWJSZHSI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m2n | DB06364 | XR5944 | SFOADSRLCHRTKT-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m3m | DB01070 | Dihydrotachysterol | ILYCWAKSDCYMBB-OPCMSESCSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB06159 | Rubitecan | VHXNKPBCCMUMSW-FQEVSTJZSA-N | 3CL pro |
| -9.6 | 6lxt | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | S2 unit |
| -9.6 | 6vxs | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6w4h | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | nsp16 - nsp10 |
| -9.6 | 6m3m | DB02799 | N-[2-(1-Maleimidyl)Ethyl]-7-Diethylaminocoumarin-3-Carboxamide | OJBZDUMTXGGVSP-KTKRTIGZSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB12307 | Foretinib | CXQHYVUVSFXTMY-UHFFFAOYSA-N | PL pro |
| -9.6 | 6crv | DB12050 | LY-3039478 | YCBAQKQAINQRFW-UGSOOPFHSA-N | spike glycoprotein |
| -9.6 | 6crv | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w4b | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | nsp9 |
| -9.6 | 6m3m | DB04983 | Denufosol | FPNPSEMJLALQSA-MIYUEGBISA-N | nucleocapsid protein |
| -9.6 | 6crv | DB08057 | N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine | VWJPPYCULHDHBB-HNNXBMFYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB08490 | CTS-1027 | ROSNVSQTEGHUKU-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB07409 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | MPBUFKZCEBTBSK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m2n | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6crv | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | 3CL pro |
| -9.6 | 6m3m | DB12562 | Setipiprant | IHAXLPDVOWLUOS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB15317 | Posiphen | PBHFNBQPZCRWQP-AZUAARDMSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB01705 | Bis(5-Amidino-Benzimidazolyl)Methane | QZKOOEFIMWKZPK-UHFFFAOYSA-Q | spike glycoprotein |
| -9.6 | 6m3m | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB12960 | INCB-9471 | ZMCJFJZOSKEMOM-DNKZPPIMSA-N | PL pro |
| -9.6 | 6lxt | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | S2 unit |
| -9.6 | 6m3m | DB07458 | 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-KRWDZBQOSA-N | nucleocapsid protein |
| -9.6 | 6w4h | DB12307 | Foretinib | CXQHYVUVSFXTMY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6vxx | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | spike glycoprotein |
| -9.6 | 6w4h | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6w4h | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | nsp16 - nsp10 |
| -9.6 | 6cs2 | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6w9c | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | PL pro |
| -9.6 | 6crv | DB08204 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE | FLWABCQDXUKNQY-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6vxx | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | spike glycoprotein |
| -9.6 | 6m2n | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | 3CL pro |
| -9.6 | 6crv | DB06730 | Gestodene | SIGSPDASOTUPFS-XUDSTZEESA-N | spike glycoprotein |
| -9.6 | 6crv | DB01405 | Temafloxacin | QKDHBVNJCZBTMR-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6cs2 | DB11521 | Imidocarb | SCEVFJUWLLRELN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6w9c | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | PL pro |
| -9.6 | 6m2n | DB13074 | Macimorelin | UJVDJAPJQWZRFR-DHIUTWEWSA-N | 3CL pro |
| -9.6 | 6crv | DB13997 | Baloxavir marboxil | RZVPBGBYGMDSBG-GGAORHGYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | 3CL pro |
| -9.6 | 6vxx | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | spike glycoprotein |
| -9.6 | 6crv | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB03893 | Thionicotinamide-Adenine-Dinucleotide | UQYPZLRUJKCREN-NNYOXOHSSA-N | 3CL pro |
| -9.6 | 6crv | DB00673 | Aprepitant | ATALOFNDEOCMKK-OITMNORJSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB03865 | 6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine | FEKRWNWZMOSVBX-UHFFFAOYSA-O | nucleocapsid protein |
| -9.6 | 6m3m | DB12505 | E-7820 | LWGUASZLXHYWIV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6vxs | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m71 | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m3m | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w4h | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 7bv1 | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB12985 | Quisinostat | PAWIYAYFNXQGAP-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6crv | DB08495 | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | VXONTEUOQXFJJS-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | spike glycoprotein |
| -9.6 | 6crv | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB12127 | Sultamicillin | OPYGFNJSCUDTBT-PMLPCWDUSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 7bv1 | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB08639 | Dapivirine | ILAYIAGXTHKHNT-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB11952 | Duvelisib | SJVQHLPISAIATJ-ZDUSSCGKSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB12843 | Oleandrin | JLPDBLFIVFSOCC-XYXFTTADSA-N | PL pro |
| -9.6 | 6vxx | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | nucleocapsid protein |
| -9.6 | 6m71 | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB12952 | Methylprednisone | SVYCRJXQZUCUND-PQXSVQADSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | nucleocapsid protein |
| -9.6 | 6cs2 | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6crv | DB04930 | Permethrin | RLLPVAHGXHCWKJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6lxt | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | S2 unit |
| -9.6 | 6m3m | DB13710 | Metenolone | ANJQEDFWRSLVBR-VHUDCFPWSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB14661 | Loperamide oxide | KXVSBTJVTUVNPM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w4h | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6w4h | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | nsp16 - nsp10 |
| -9.6 | 6m3m | DB15292 | Foliglurax | ZTEDNASHAWNBKQ-NCELDCMTSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB12823 | Tecarfarin | QFLNTQDOVCLQKW-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB04908 | Flibanserin | PPRRDFIXUUSXRA-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6cs2 | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m2n | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | 3CL pro |
| -9.6 | 6m2n | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | 3CL pro |
| -9.6 | 6vxx | DB11577 | Indigotindisulfonic Acid | CFZXDJWFRVEWSR-BUHFOSPRSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | PL pro |
| -9.6 | 6w9c | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | PL pro |
| -9.6 | 6lxt | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | S2 unit |
| -9.6 | 6m3m | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w4h | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | nsp16 - nsp10 |
| -9.6 | 6vxx | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB06525 | Ganstigmine | ZOBDWFRKFSPCRB-UNMCSNQZSA-N | nucleocapsid protein |
| -9.6 | 6vxs | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m3m | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB00455 | Loratadine | JCCNYMKQOSZNPW-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB04177 | 4-(3,14-Dihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | XZTUSOXSLKTKJQ-CESUGQOBSA-N | 3CL pro |
| -9.6 | 6m2n | DB09235 | Efonidipine | NSVFSAJIGAJDMR-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6w4h | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6m3m | DB04796 | Inecalcitol | HHGRMHMXKPQNGF-WNSNRMDMSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB08657 | 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID | SSXCWVOQWRUMGN-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6vxx | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB04623 | 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | CGBRFCVAMLJVEA-ZGURCIGKSA-N | spike glycoprotein |
| -9.6 | 6crv | DB08816 | Ticagrelor | OEKWJQXRCDYSHL-FNOIDJSQSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB09123 | Dienogest | AZFLJNIPTRTECV-FUMNGEBKSA-N | spike glycoprotein |
| -9.6 | 6m71 | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w9c | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m71 | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m3m | DB07471 | 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE | UHCHLTQBLNUYRT-GFCCVEGCSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | 3CL pro |
| -9.6 | 6vxx | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | spike glycoprotein |
| -9.6 | 7bv1 | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB00481 | Raloxifene | GZUITABIAKMVPG-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB11951 | Lemborexant | MUGXRYIUWFITCP-PGRDOPGGSA-N | 3CL pro |
| -9.6 | 6lxt | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | S2 unit |
| -9.6 | 6m3m | DB01339 | Vecuronium | BGSZAXLLHYERSY-XQIGCQGXSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m2n | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6crv | DB09227 | Barnidipine | VXMOONUMYLCFJD-DHLKQENFSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | 3CL pro |
| -9.6 | 6w4h | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6vxs | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m71 | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w9c | DB14068 | Dexniguldipine | SVJMLYUFVDMUHP-MGBGTMOVSA-N | PL pro |
| -9.6 | 6crv | DB12048 | Savolitinib | XYDNMOZJKOGZLS-NSHDSACASA-N | spike glycoprotein |
| -9.6 | 6m3m | DB02573 | 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate | LYWWDKIADIGKTH-IDMWBNCISA-N | nucleocapsid protein |
| -9.6 | 6crv | DB08125 | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | BOMPRXSVSIPRDT-PTNGSMBKSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB01990 | Cholesterol sulfate | BHYOQNUELFTYRT-DPAQBDIFSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB07697 | 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine | HMGDKYUJSFVHIY-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB08126 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | DMCRNUMVSATRTP-LCYFTJDESA-N | spike glycoprotein |
| -9.6 | 6vxs | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6w9c | DB11966 | BMS-986094 | YFXGICNMLCGLHJ-RSKRLRQZSA-N | PL pro |
| -9.6 | 6crv | DB06307 | Apoptone | CKAXZOYFIHQCBN-JRRMKBMNSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB13036 | Ramatroban | LDXDSHIEDAPSSA-OAHLLOKOSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6vxx | DB04121 | Guanosine-3'-Monophosphate-5'-Diphosphate | HEYSFDAMRDTCJM-UUOKFMHZSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 7bv1 | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m71 | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m2n | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | 3CL pro |
| -9.6 | 6w9c | DB06831 | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE | UMMYTDJYDSTEMB-UHFFFAOYSA-N | PL pro |
| -9.6 | 6crv | DB06268 | Sitaxentan | PHWXUGHIIBDVKD-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB11778 | Danusertib | XKFTZKGMDDZMJI-HSZRJFAPSA-N | 3CL pro |
| -9.6 | 6m3m | DB07124 | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | CCIACUJJBPSOHE-KRWDZBQOSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB07729 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | GAKOBKPDJJGRIL-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | 3CL pro |
| -9.6 | 6vxx | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w4b | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | nsp9 |
| -9.6 | 6crv | DB06263 | Amrubicin | VJZITPJGSQKZMX-XDPRQOKASA-N | spike glycoprotein |
| -9.6 | 6m3m | DB00496 | Darifenacin | HXGBXQDTNZMWGS-RUZDIDTESA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m2n | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | 3CL pro |
| -9.6 | 6m2n | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | 3CL pro |
| -9.6 | 6vxx | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | PL pro |
| -9.6 | 6w9c | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | PL pro |
| -9.6 | 6m2n | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6vxs | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6crv | DB07686 | 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | VPOGRVWIIVMWRI-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB00559 | Bosentan | GJPICJJJRGTNOD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | PL pro |
| -9.6 | 6m71 | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB07688 | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | RPJIMTALCNCQLV-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m2n | DB08816 | Ticagrelor | OEKWJQXRCDYSHL-FNOIDJSQSA-N | 3CL pro |
| -9.6 | 7bv1 | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w9c | DB15145 | Ziresovir | GAAICKUTDBZCMT-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB08121 | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | TZTPJJNNACUQQR-FQEVSTJZSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB12904 | ZSTK-474 | HGVNLRPZOWWDKD-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6w9c | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m2n | DB00206 | Reserpine | QEVHRUUCFGRFIF-MDEJGZGSSA-N | 3CL pro |
| -9.6 | 6m3m | DB07053 | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | TWVYNPULGKGJOS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB03300 | Pterin Cytosine Dinucleotide | WKSPNQYEWZEMMI-FEFZDOOUSA-N | 3CL pro |
| -9.6 | 6w4h | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | nsp16 - nsp10 |
| -9.6 | 6vxs | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6crv | DB12006 | BMS-906024 | AYOUDDAETNMCBW-GSHUGGBRSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | nucleocapsid protein |
| -9.6 | 6vxs | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6crv | DB07088 | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide | ZWXWAYUCJVQHOR-KRWDZBQOSA-N | spike glycoprotein |
| -9.6 | 6w9q | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | nsp9 RNA-replicase |
| -9.6 | 6vxs | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6cs2 | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m2n | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6crv | DB12027 | Serdemetan | CEGSUK1LWKJP-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6lxt | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | S2 unit |
| -9.6 | 6crv | DB05936 | CVT-6883 | KOYXXLLNCXWUNF-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB06518 | R-1487 | KKKRKRMVJRHDMG-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m2n | DB12806 | GSK-1004723 | YANGEESWIGIKOP-UUWRZZSWSA-N | 3CL pro |
| -9.6 | 6m3m | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | nucleocapsid protein |
| -9.6 | 6lzg | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.6 | 6m71 | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w4h | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | nsp16 - nsp10 |
| -9.6 | 6cs2 | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB06837 | (2R)-N-4-hydroxy-2-(3-hydroxybenzyl)-N-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide | VXDKQRWTOJFQKH-BJZITVGISA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB07074 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER | OUBRALHIKGRAMA-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6cs2 | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | ACE2 area for S-protein binding |
| -9.6 | 6cs2 | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | ACE2 area for S-protein binding |
| -9.6 | 6vxx | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | spike glycoprotein |
| -9.6 | 6crv | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | spike glycoprotein |
| -9.6 | 6m71 | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | spike glycoprotein |
| -9.6 | 6m71 | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m2n | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | 3CL pro |
| -9.6 | 6crv | DB01185 | Fluoxymesterone | YLRFCQOZQXIBAB-RBZZARIASA-N | spike glycoprotein |
| -9.6 | 6w4h | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6cs2 | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | ACE2 area for S-protein binding |
| -9.6 | 6w9q | DB03523 | Brequinar | PHEZJEYUWHETKO-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.6 | 6m2n | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | 3CL pro |
| -9.6 | 6m2n | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6cs2 | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -9.6 | 6vxs | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m3m | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | 3CL pro |
| -9.6 | 6m3m | DB13422 | Nicofuranose | FUWFSXZKBMCSKF-ZASNTINBSA-N | nucleocapsid protein |
| -9.6 | 6cs2 | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m2n | DB14937 | MK-8666 | CODQKEMYZZKQAE-QPVYNBJUSA-N | 3CL pro |
| -9.6 | 6crv | DB00836 | Loperamide | RDOIQAHITMMDAJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | spike glycoprotein |
| -9.6 | 6w4h | DB07832 | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde | VKQPTVJDZIILPG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 7bv1 | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB07642 | 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | GYKIQIOWVKCVBP-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6lxt | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | S2 unit |
| -9.6 | 6w9c | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | PL pro |
| -9.6 | 6vxx | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | spike glycoprotein |
| -9.6 | 6m2n | DB12850 | Etalocib | YFIZRWPXUYFCSN-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6crv | DB01108 | Trilostane | KVJXBPDAXMEYOA-CXANFOAXSA-N | spike glycoprotein |
| -9.6 | 6cs2 | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB12806 | GSK-1004723 | YANGEESWIGIKOP-UUWRZZSWSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m3m | DB02338 | Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate | ACFIXJIJDZMPPO-NNYOXOHSSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB12507 | Atecegatran metoxil | XSNMGLZVFNDDPW-ZWKOTPCHSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB12095 | Telotristat ethyl | MDSQOJYHHZBZKA-GBXCKJPGSA-N | 3CL pro |
| -9.6 | 6m3m | DB12885 | CF-102 | IPSYPUKKXMNCNQ-PFHKOEEOSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB14575 | Eslicarbazepine | BMPDWHIDQYTSHX-AWEZNQCLSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB04859 | Zanapezil | PMBLXLOXUGVTGB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 7bv1 | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w4h | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | nsp16 - nsp10 |
| -9.6 | 6lxt | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | S2 unit |
| -9.6 | 6vxx | DB04201 | Histidyl-Adenosine Monophosphate | XTFBSLZFYLGYAT-OPYVMVOTSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | 3CL pro |
| -9.6 | 6vxx | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m71 | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB14568 | Ivosidenib | WIJZXSAJMHAVGX-DHLKQENFSA-N | spike glycoprotein |
| -9.6 | 6vxs | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | ribose phosphatase of NSP3 |
| -9.6 | 6w9c | DB15287 | Elismetrep | CWEFDWIKLABKBX-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB02673 | (4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium | VLGAHTYYCHWLNI-BHRZLAGCSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB12996 | Acteoside | FBSKJMQYURKNSU-ZLSOWSIRSA-N | 3CL pro |
| -9.6 | 6vxx | DB12598 | Nafamostat | MQQNFDZXWVTQEH-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6cs2 | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m2n | DB01026 | Ketoconazole | XMAYWYJOQHXEEK-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6cs2 | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m2n | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m71 | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 7bv1 | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w9c | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | PL pro |
| -9.6 | 6m3m | DB00858 | Drostanolone | IKXILDNPCZPPRV-RFMGOVQKSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB13939 | RAD-140 | XMBUPPIEVAFYHO-KPZWWZAWSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB12073 | Albaconazole | UHIXWHUVLCAJQL-MPBGBICISA-N | 3CL pro |
| -9.6 | 6vxx | DB06876 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | YJWJKKXGAPWLGT-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB03355 | 5'-O-(N-(L-Threonyl)-Sulfamoyl)Adenosine | UPVAPSGKXAAHBG-CKTDUXNWSA-N | nucleocapsid protein |
| -9.6 | 6cs2 | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6crv | DB07182 | (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID | HFRHWTYCVGKGIE-KRWDZBQOSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6crv | DB13766 | Lidoflazine | ZBIAKUMOEKILTF-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 7bv1 | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 7bv1 | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 7bv1 | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m3m | DB12082 | Vesnarinone | ZVNYJIZDIRKMBF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB15126 | IMG-7289 | KQKBMHGOHXOHTD-KKUQBAQOSA-N | 3CL pro |
| -9.6 | 6vxx | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | PL pro |
| -9.6 | 6lxt | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | S2 unit |
| -9.6 | 6crv | DB11805 | Saracatinib | OUKYUETWWIPKQR-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 7bv1 | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m3m | DB08355 | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid | ZOBRPBVIEUWYJR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB11871 | PF-00610355 | YPHDIMUXXABSSO-YTTGMZPUSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6cs2 | DB11841 | Entinostat | INVTYAOGFAGBOE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB08588 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | OYNURZXTLNNKAP-QGZVFWFLSA-N | spike glycoprotein |
| -9.6 | 6crv | DB11424 | Lufenuron | PWPJGUXAGUPAHP-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | PL pro |
| -9.6 | 6crv | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB08350 | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE | GYQRHHQPEMOLKH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB00678 | Losartan | PSIFNNKUMBGKDQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m71 | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w9c | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | nucleocapsid protein |
| -9.6 | 6vxs | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m3m | DB07945 | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid | GKBQRPKZHUFGOB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB12888 | Ezutromid | KSGCNXAZROJSNW-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6crv | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB06169 | Indibulin | SOLIIYNRSAWTSQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB02411 | 2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2 | HOUHLOFMBSYNBO-KKUQBAQOSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | nucleocapsid protein |
| -9.6 | 6lxt | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | S2 unit |
| -9.6 | 6m2n | DB13126 | BMS-986115 | SRJNRAQUSAVENA-GSHUGGBRSA-N | 3CL pro |
| -9.6 | 6vxs | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | ribose phosphatase of NSP3 |
| -9.6 | 6lxt | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | S2 unit |
| -9.6 | 6vxx | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB12116 | Epigallocatechin gallate | WMBWREPUVVBILR-WIYYLYMNSA-N | 3CL pro |
| -9.6 | 6m2n | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | 3CL pro |
| -9.6 | 6vxx | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | spike glycoprotein |
| -9.6 | 6m3m | DB05706 | 13-deoxydoxorubicin | RGVRUQHYQSORBY-JIGXQNLBSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB12869 | Eliprodil | GGUSQTSTQSHJAH-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | PL pro |
| -9.6 | 6m3m | DB08166 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | LPFQFJAOMCGYCP-GFCCVEGCSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB08174 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE | QCPYHSAHOYXXQK-DLBZAZTESA-N | nucleocapsid protein |
| -9.6 | 6crv | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | PL pro |
| -9.6 | 6w9c | DB00700 | Eplerenone | JUKPWJGBANNWMW-VWBFHTRKSA-N | PL pro |
| -9.6 | 6vxs | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6cs2 | DB06144 | Sertindole | GZKLJWGUPQBVJQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6crv | DB07403 | 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE | DTDZLJHKVNTQGZ-GOSISDBHSA-N | spike glycoprotein |
| -9.6 | 6crv | DB07796 | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE | GJYCQHGTXMVIBG-MUGJNUQGSA-O | spike glycoprotein |
| -9.6 | 6m3m | DB05653 | IRX-5183 | PNAWUIKCVQSLFG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB01669 | Virginiamycin M1 | DAIKHDNSXMZDCU-FQTGFAPKSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6lzg | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.6 | 6m3m | DB13943 | Testosterone cypionate | HPFVBGJFAYZEBE-ZLQWOROUSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB15151 | RO-6870810 | PKQXLRYFPSZKDU-QFIPXVFZSA-N | nucleocapsid protein |
| -9.6 | 6cs2 | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | nucleocapsid protein |
| -9.6 | 6lxt | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | S2 unit |
| -9.6 | 7bv1 | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB07435 | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | GFANZDFKCCJYRF-NSISKUIASA-N | spike glycoprotein |
| -9.6 | 6crv | DB11219 | Enzacamene | HEOCBCNFKCOKBX-SDNWHVSQSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB07434 | HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE | TZWQPWGUQCSKDW-GUYCJALGSA-N | spike glycoprotein |
| -9.6 | 6crv | DB06995 | N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide | USBSTVPJNQLYEM-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 7bv1 | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 7bv1 | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m3m | DB11987 | GSK-2018682 | NFIGDBFIDKDNIG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m71 | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6cs2 | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB00224 | Indinavir | CBVCZFGXHXORBI-PXQQMZJSSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | PL pro |
| -9.6 | 6crv | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w4h | DB05653 | IRX-5183 | PNAWUIKCVQSLFG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.6 | 6crv | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | spike glycoprotein |
| -9.6 | 6crv | DB12542 | GSK-356278 | AWDJJMXJUOHGLC-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6vxs | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | ribose phosphatase of NSP3 |
| -9.6 | 6crv | DB04362 | Adenosine Diphosphate 5-(Beta-Ethyl)-4-Methyl-Thiazole-2-Carboxylic Acid | VGXBGQACJQRWLV-LKGUXBDMSA-K | spike glycoprotein |
| -9.6 | 6crv | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | spike glycoprotein |
| -9.6 | 6crv | DB04342 | 7-((Carboxy(4-Hydroxyphenyl)Acetyl)Amino)-7-Methoxy-(3-((1-Methyl-1h-Tetrazol-5-Yl)Thio)Methyl)-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid | JWCSIUVGFCSJCK-LIUKBUMOSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB00319 | Piperacillin | IVBHGBMCVLDMKU-GXNBUGAJSA-N | PL pro |
| -9.6 | 6w9c | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | PL pro |
| -9.6 | 6m3m | DB07872 | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | IYGIXVNAMZPBDK-CQSZACIVSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | PL pro |
| -9.6 | 6cs2 | DB07548 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE | JXHWVKOKYDAROD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 7bv1 | DB07147 | methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | HJWMYFBKJRVWJY-YKSBVNFPSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m2n | DB02259 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide | VSYGXLAJQDAWCZ-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m3m | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB12806 | GSK-1004723 | YANGEESWIGIKOP-UUWRZZSWSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB07698 | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine | JDNMRPIWJIDDAY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB01732 | (4r,5s,6s,7r)-1,3-Dibenzyl-4,7-Bis(Phenoxymethyl)-5,6-Dihydroxy-1,3 Diazepan-2-One | SQBOSZXDOHQFAA-ZRTHHSRSSA-N | spike glycoprotein |
| -9.6 | 6w9q | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.6 | 6m3m | DB06410 | Doxercalciferol | HKXBNHCUPKIYDM-CGMHZMFXSA-N | nucleocapsid protein |
| -9.6 | 6vxs | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m2n | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | 3CL pro |
| -9.6 | 6m3m | DB15250 | Vercirnon | JRWROCIMSDXGOZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB12290 | Puerarin | HKEAFJYKMMKDOR-VPRICQMDSA-N | spike glycoprotein |
| -9.6 | 6vxs | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m3m | DB12272 | Vidupiprant | PFWVGKROPKKEDW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | PL pro |
| -9.6 | 6m3m | DB00303 | Ertapenem | JUZNIMUFDBIJCM-ANEDZVCMSA-N | nucleocapsid protein |
| -9.6 | 6lxt | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | S2 unit |
| -9.6 | 6cs2 | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | ACE2 area for S-protein binding |
| -9.6 | 6w9c | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | PL pro |
| -9.6 | 6w9c | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m3m | DB07689 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | NYNAFINLHQEHKU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB06412 | Oxymetholone | ICMWWNHDUZJFDW-DHODBPELSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB05706 | 13-deoxydoxorubicin | RGVRUQHYQSORBY-JIGXQNLBSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB12302 | CP-724714 | LLVZBTWPGQVVLW-SNAWJCMRSA-N | nucleocapsid protein |
| -9.6 | 6lzg | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.6 | 6m3m | DB11778 | Danusertib | XKFTZKGMDDZMJI-HSZRJFAPSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB04862 | Merimepodib | JBPUGFODGPKTDW-SFHVURJKSA-N | spike glycoprotein |
| -9.6 | 6m71 | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6cs2 | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6lzg | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | Spike - human ACE2-SLC6A19 complex |
| -9.6 | 6crv | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6cs2 | DB12580 | Tradipitant | CAVRKWRKTNINFF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB07664 | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | ARIOBGGRZJITQX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB04574 | Estrone sulfate | JKKFKPJIXZFSSB-CBZIJGRNSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB00324 | Fluorometholone | FAOZLTXFLGPHNG-KNAQIMQKSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | nucleocapsid protein |
| -9.6 | 6vxx | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB07458 | 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-KRWDZBQOSA-N | PL pro |
| -9.6 | 6cs2 | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB11789 | Hyodeoxycholic Acid | DGABKXLVXPYZII-SIBKNCMHSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB06429 | Talnetant | BIAVGWDGIJKWRM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6vxs | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6m3m | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | PL pro |
| -9.6 | 6w9c | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | PL pro |
| -9.6 | 6w9c | DB11645 | PF-4191834 | DVNQWYLVSNPCJZ-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m2n | DB12295 | Evodenoson | SQJXTUJMBYVDBB-RQXXJAGISA-N | 3CL pro |
| -9.6 | 6m2n | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m2n | DB02194 | 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | ULLMMKZQNNBLRN-SANMLTNESA-N | 3CL pro |
| -9.6 | 6m3m | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB04023 | Guanosine 5'-(Trihydrogen Diphosphate), P'-D-Mannopyranosyl Ester | DNBSDUDYNPJVCN-ZXTXFPBHSA-N | nucleocapsid protein |
| -9.6 | 6m71 | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m3m | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB08973 | Fluclorolone acetonide | NJNWEGFJCGYWQT-VSXGLTOVSA-N | spike glycoprotein |
| -9.6 | 6crv | DB08971 | Fluocortolone | GAKMQHDJQHZUTJ-ULHLPKEOSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | spike glycoprotein |
| -9.6 | 6m3m | DB06250 | Fluasterone | VHZXNQKVFDBFIK-NBBHSKLNSA-N | nucleocapsid protein |
| -9.6 | 6m3m | DB07815 | GIBBERELLIN A4 | RSQSQJNRHICNNH-NFMPGMCNSA-N | nucleocapsid protein |
| -9.6 | 6cs2 | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6vxx | DB02341 | Mdl 101,146 | XQAMVCHQGHAELT-YPAWHYETSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | spike glycoprotein |
| -9.6 | 6m71 | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6crv | DB07830 | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE | DIRIFWIKLRTNMB-DYVFJYSZSA-N | spike glycoprotein |
| -9.6 | 6cs2 | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6lzg | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.6 | 6vxx | DB12505 | E-7820 | LWGUASZLXHYWIV-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6vxx | DB01792 | Adenylyl-3'-5'-Phospho-Uridine-3'-Monophosphate | FZCSEXOMUJFOHQ-KPKSGTNCSA-N | spike glycoprotein |
| -9.6 | 6crv | DB08883 | Perampanel | PRMWGUBFXWROHD-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6w9c | DB09054 | Idelalisib | IFSDAJWBUCMOAH-HNNXBMFYSA-N | PL pro |
| -9.6 | 6crv | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6crv | DB07005 | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide | VZFTWWJAUZOJDH-MOPGFXCFSA-O | spike glycoprotein |
| -9.6 | 6lzg | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.6 | 7bv1 | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6w9c | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | PL pro |
| -9.6 | 6m2n | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6vxx | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | spike glycoprotein |
| -9.6 | 6w9c | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | PL pro |
| -9.6 | 6crv | DB04092 | Apstatin | YVUUZAPYLPWFHE-HXFGRODQSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | nucleocapsid protein |
| -9.6 | 6vxs | DB03157 | N,O-Didansyl-L-Tyrosine | LUBOPDUYHWABFG-NDEPHWFRSA-N | ribose phosphatase of NSP3 |
| -9.6 | 6lxt | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | S2 unit |
| -9.6 | 6m3m | DB08400 | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | KUEKMTNOUPAOBS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB09286 | Pipamperone | AXKPFOAXAHJUAG-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6vxx | DB14034 | Darglitazone | QQKNSPHAFATFNQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.6 | 6m2n | DB07340 | N-6-cyclohexyl-N-2-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | ZFLJHSQHILSNCM-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 7bv1 | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.6 | 6m2n | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6cs2 | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.6 | 6m3m | DB08391 | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UBIIFKJMNRPNMT-CQSZACIVSA-N | nucleocapsid protein |
| -9.6 | 6crv | DB06920 | Eribaxaban | QQBKAVAGLMGMHI-WIYYLYMNSA-N | spike glycoprotein |
| -9.6 | 6m3m | DB15238 | Olinciguat | YWQFJNWMWZMXRW-HXUWFJFHSA-N | nucleocapsid protein |
| -9.6 | 6m2n | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | 3CL pro |
| -9.6 | 6m2n | DB04623 | 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | CGBRFCVAMLJVEA-ZGURCIGKSA-N | 3CL pro |
| -9.5 | 6m3m | DB14038 | beta-Sitosterol | KZJWDPNRJALLNS-VJSFXXLFSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB15295 | Tenalisib | HDXDQPRPFRKGKZ-INIZCTEOSA-N | spike glycoprotein |
| -9.5 | 6crv | DB09070 | Tibolone | WZDGZWOAQTVYBX-XOINTXKNSA-N | spike glycoprotein |
| -9.5 | 6crv | DB07022 | 3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate | PXERBGNIBOFZOW-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6crv | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | 3CL pro |
| -9.5 | 6vxx | DB07830 | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE | DIRIFWIKLRTNMB-DYVFJYSZSA-N | spike glycoprotein |
| -9.5 | 6m71 | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6w4h | DB07872 | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | IYGIXVNAMZPBDK-CQSZACIVSA-N | nsp16 - nsp10 |
| -9.5 | 6w9c | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | PL pro |
| -9.5 | 6crv | DB08013 | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | UEIUDEUUVLYRFV-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m71 | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6lzg | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 7bv1 | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m2n | DB09181 | Trefentanil | RJSCINHYBGMIFT-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 7bv1 | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6crv | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB06977 | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine | CAASENZOSQYNPX-HSTJUUNISA-N | spike glycoprotein |
| -9.5 | 6crv | DB06835 | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID | CTQDLSDUHUFBQW-LEWJYISDSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | 3CL pro |
| -9.5 | 6vxx | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxs | DB13024 | MK-8245 | UJEAABFSXKCSGI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m2n | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB01772 | 3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione | RPGZQOOZHIEPJW-HNNXBMFYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB13866 | Etynodiol | JYILPERKVHXLNF-QMNUTNMBSA-N | nucleocapsid protein |
| -9.5 | 6w4h | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6w4h | DB07270 | N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE | GAYYMURZGLJDCT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6crv | DB08755 | N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | MQWUTQCRGGBPBT-WIOPSUGQSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6w4h | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6m71 | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxx | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxs | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6crv | DB15287 | Elismetrep | CWEFDWIKLABKBX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m3m | DB14937 | MK-8666 | CODQKEMYZZKQAE-QPVYNBJUSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB13648 | Alcuronium | MUQUYTSLDVKIOF-CHJKCJHBSA-N | 3CL pro |
| -9.5 | 6crv | DB07054 | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | OSCWQKTUILTARV-MRXNPFEDSA-N | spike glycoprotein |
| -9.5 | 6w4h | DB06876 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | YJWJKKXGAPWLGT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6crv | DB06847 | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | YYCPXVRHQUEVAW-CQSZACIVSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6vxx | DB06367 | Relacatib | BWYBBMQLUKXECQ-GIVPXCGWSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6crv | DB15282 | Fluorofuranylnorprogesterone F-18 | VJKRBRUNEOHPBS-JQKUZGBFSA-N | spike glycoprotein |
| -9.5 | 6m71 | DB01459 | Bezitramide | FLKWNFFCSSJANB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m2n | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6w4h | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | nsp16 - nsp10 |
| -9.5 | 6crv | DB06871 | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | FQMQOMRDADWGJJ-GBESFXJTSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB13993 | MRK-409 | GOIFCXRIFSYPFG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB07834 | N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | FOHZGCHKLPIBBX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB06263 | Amrubicin | VJZITPJGSQKZMX-XDPRQOKASA-N | spike glycoprotein |
| -9.5 | 6m2n | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | 3CL pro |
| -9.5 | 6vxx | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB00137 | Lutein | KBPHJBAIARWVSC-RGZFRNHPSA-N | 3CL pro |
| -9.5 | 7bv1 | DB07008 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | XPXGYINSBORUMM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 7bv1 | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 7bv1 | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxx | DB07875 | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide | ARAVOODWJJJNBY-IRXDYDNUSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB03507 | 6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One | UXGUZFZBZPPZGL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB09183 | Dasabuvir | NBRBXGKOEOGLOI-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6w9c | DB04098 | Balanol | XYUFCXJZFZPEJD-PGRDOPGGSA-N | PL pro |
| -9.5 | 6crv | DB06609 | Odiparcil | JRHNIQQUVJOPQC-AQNFWKISSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB14541 | Hydrocortisone cypionate | DLVOSEUFIRPIRM-KAQKJVHQSA-N | nucleocapsid protein |
| -9.5 | 6w4h | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6crv | DB08746 | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | ZOSSOFIFNGGDKG-GIJQJNRQSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB09239 | Niguldipine | SVJMLYUFVDMUHP-XIFFEERXSA-N | 3CL pro |
| -9.5 | 7bv1 | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6cs2 | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6w4h | DB06248 | Amelubant | SBVYURPQULDJTI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6m3m | DB13506 | Carfecillin | NZDASSHFKWDBBU-KVMCETHSSA-N | nucleocapsid protein |
| -9.5 | 7bv1 | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB13951 | Stanolone acetate | ILCTUFVQFCIIDS-NGFSFWIMSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | spike glycoprotein |
| -9.5 | 6w4h | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | nsp16 - nsp10 |
| -9.5 | 6crv | DB08022 | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile | RCYPVQCPYKNSTG-OAHLLOKOSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6cs2 | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB03496 | Alvocidib | BIIVYFLTOXDAOV-YVEFUNNKSA-N | spike glycoprotein |
| -9.5 | 6crv | DB06684 | Vilazodone | SGEGOXDYSFKCPT-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB15358 | JNJ-54175446 | CWFVVQFVGMFTBD-SECBINFHSA-N | ACE2 area for S-protein binding |
| -9.5 | 6w9c | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | PL pro |
| -9.5 | 6vxx | DB03461 | 2'-Monophosphoadenosine 5'-Diphosphoribose | XJLXINKUBYWONI-NNYOXOHSSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB14902 | JHU-75528 C-11 | MCNQUWLLXZZZAC-BJUDXGSMSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m3m | DB12219 | GSK-424887 | DRXBWLBZWAJIEF-IBGZPJMESA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB14681 | Cortisone | MFYSYFVPBJMHGN-ZPOLXVRWSA-N | nucleocapsid protein |
| -9.5 | 6w4h | DB13931 | Netarsudil | OURRXQUGYQRVML-AREMUKBSSA-N | nsp16 - nsp10 |
| -9.5 | 6crv | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB08154 | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile | WHCLIFOVZDANCU-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB14889 | Derazantinib | KPJDVVCDVBFRMU-AREMUKBSSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB06995 | N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide | USBSTVPJNQLYEM-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6cs2 | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB15191 | MAX-40279 | AVIOBQFPAGEICQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB01137 | Levofloxacin | GSDSWSVVBLHKDQ-JTQLQIEISA-N | nucleocapsid protein |
| -9.5 | 6crv | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12149 | S-3304 | YWCLDDLVLSQGSZ-JOCHJYFZSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB07159 | Tamatinib | NHHQJBCNYHBUSI-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB00445 | Epirubicin | AOJJSUZBOXZQNB-VTZDEGQISA-N | 3CL pro |
| -9.5 | 6m2n | DB07270 | N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE | GAYYMURZGLJDCT-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxx | DB01058 | Praziquantel | FSVJFNAIGNNGKK-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m2n | DB07265 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID | JDARUOOLJCFUOY-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6w4h | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | nsp16 - nsp10 |
| -9.5 | 6m2n | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | 3CL pro |
| -9.5 | 6crv | DB12284 | LY-2608204 | QIIVJLHCZUTGSD-CUBQBAPOSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB00421 | Spironolactone | LXMSZDCAJNLERA-ZHYRCANASA-N | 3CL pro |
| -9.5 | 6m3m | DB12235 | Estetrol | AJIPIJNNOJSSQC-NYLIRDPKSA-N | nucleocapsid protein |
| -9.5 | 6lxt | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | S2 unit |
| -9.5 | 6m3m | DB11636 | Nomegestrol | KZUIYQJTUIACIG-YBZCJVABSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB14662 | Flunisolide acetate | WEGNFRKBIKYVLC-XTLNBZDDSA-N | nucleocapsid protein |
| -9.5 | 6w4h | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | nsp16 - nsp10 |
| -9.5 | 6m3m | DB01347 | Saprisartan | DUEWVPTZCSAMNB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB13126 | BMS-986115 | SRJNRAQUSAVENA-GSHUGGBRSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB14889 | Derazantinib | KPJDVVCDVBFRMU-AREMUKBSSA-N | ACE2 area for S-protein binding |
| -9.5 | 6vxx | DB15287 | Elismetrep | CWEFDWIKLABKBX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | nucleocapsid protein |
| -9.5 | 6crv | DB04886 | Calanolide A | NIDRYBLTWYFCFV-FMTVUPSXSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB00342 | Terfenadine | GUGOEEXESWIERI-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m2n | DB07434 | HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE | TZWQPWGUQCSKDW-GUYCJALGSA-N | 3CL pro |
| -9.5 | 6m3m | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB09232 | Cilnidipine | KJEBULYHNRNJTE-DHZHZOJOSA-N | spike glycoprotein |
| -9.5 | 6w4h | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6lzg | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6m2n | DB07404 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | YXQQNSYZOQHKHD-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6w4h | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6m3m | DB11592 | Nitrocefin | LHNIIDJCEODSHA-OQRUQETBSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB01003 | Cromoglicic acid | IMZMKUWMOSJXDT-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6crv | DB03797 | 3-Aminomethyl-Pyridinium-Adenine-Dinucleotide | HMCRLFVYYFBZEZ-PLEFRAQWSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxx | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB07162 | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide | KFJCXIOVAGJCKB-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB15063 | Inarigivir soproxil | CJCYTUJOSMYXLE-JDLSZIHUSA-N | 3CL pro |
| -9.5 | 6w4h | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 7bv1 | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6w9c | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m3m | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB00796 | Candesartan cilexetil | GHOSNRCGJFBJIB-UHFFFAOYSA-N | PL pro |
| -9.5 | 6vxx | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB11743 | Ipatasertib | GRZXWCHAXNAUHY-NSISKUIASA-N | nucleocapsid protein |
| -9.5 | 6vxs | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6vxx | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB13246 | Quinupramine | JCBQCKFFSPGEDY-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB04158 | 6-(Adenosine Tetraphosphate-Methyl)-7,8-Dihydropterin | ZKRKFZJAQKKHKL-SUGPNEFASA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB11871 | PF-00610355 | YPHDIMUXXABSSO-YTTGMZPUSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB15186 | GDC-0084 | LGWACEZVCMBSKW-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m2n | DB13993 | MRK-409 | GOIFCXRIFSYPFG-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB11759 | Pevonedistat | MPUQHZXIXSTTDU-QXGSTGNESA-N | nucleocapsid protein |
| -9.5 | 6crv | DB04158 | 6-(Adenosine Tetraphosphate-Methyl)-7,8-Dihydropterin | ZKRKFZJAQKKHKL-SUGPNEFASA-N | spike glycoprotein |
| -9.5 | 6lzg | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6m3m | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6lxt | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | S2 unit |
| -9.5 | 6cs2 | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB11429 | Mibolerone | PTQMMNYJKCSPET-OMHQDGTGSA-N | spike glycoprotein |
| -9.5 | 6crv | DB07974 | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE | BDLMBQRBNPDCSS-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | PL pro |
| -9.5 | 6cs2 | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -9.5 | 6m3m | DB14844 | ONC-201 | VLULRUCCHYVXOH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB01459 | Bezitramide | FLKWNFFCSSJANB-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m2n | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | 3CL pro |
| -9.5 | 6vxx | DB00522 | Bentiromide | SPPTWHFVYKCNNK-FQEVSTJZSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB11922 | Danirixin | NGYNBSHYFOFVLS-LBPRGKRZSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB14726 | Dabigatran | YBSJFWOBGCMAKL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB03461 | 2'-Monophosphoadenosine 5'-Diphosphoribose | XJLXINKUBYWONI-NNYOXOHSSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB15145 | Ziresovir | GAAICKUTDBZCMT-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6cs2 | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m3m | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | nucleocapsid protein |
| -9.5 | 6crv | DB07982 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol | PVTKDXZNSUHUMO-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB01089 | Deserpidine | CVBMAZKKCSYWQR-WCGOZPBSSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB13347 | Diphenadione | JYGLAHSAISAEAL-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m2n | DB12327 | Salvinorin A | OBSYBRPAKCASQB-AGQYDFLVSA-N | 3CL pro |
| -9.5 | 6vxs | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | ribose phosphatase of NSP3 |
| -9.5 | 6vxx | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB11994 | Diacerein | TYNLGDBUJLVSMA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | 3CL pro |
| -9.5 | 7bv1 | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6w4h | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6w9c | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | PL pro |
| -9.5 | 6m2n | DB08407 | PLATENSIMYCIN | CSOMAHTTWTVBFL-OFBLZTNGSA-N | 3CL pro |
| -9.5 | 6cs2 | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6w9c | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | PL pro |
| -9.5 | 6crv | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6vxx | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6cs2 | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6w4h | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | nsp16 - nsp10 |
| -9.5 | 6m3m | DB01013 | Clobetasol propionate | CBGUOGMQLZIXBE-XGQKBEPLSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | spike glycoprotein |
| -9.5 | 6lzg | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6m3m | DB09378 | Fluprednisolone | MYYIMZRZXIQBGI-HVIRSNARSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12877 | Oxatomide | BAINIUMDFURPJM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | spike glycoprotein |
| -9.5 | 6w4h | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6m2n | DB14726 | Dabigatran | YBSJFWOBGCMAKL-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6lzg | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6m3m | DB12812 | Palomid 529 | YEAHTLOYHVWAKW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6lzg | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6cs2 | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB05944 | Varlitinib | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | spike glycoprotein |
| -9.5 | 6lzg | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6crv | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB08154 | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile | WHCLIFOVZDANCU-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6lzg | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6cs2 | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6vxx | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6w9c | DB02873 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One | YAWZIQKDHQIHOS-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m2n | DB14068 | Dexniguldipine | SVJMLYUFVDMUHP-MGBGTMOVSA-N | 3CL pro |
| -9.5 | 6w4h | DB11814 | PF-03882845 | XNULRSOGWPFPBL-REWPJTCUSA-N | nsp16 - nsp10 |
| -9.5 | 6m2n | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | 3CL pro |
| -9.5 | 6m2n | DB00693 | Fluorescein | GNBHRKFJIUUOQI-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6lzg | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6m3m | DB12933 | RO-4987655 | FIMYFEGKMOCQKT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 7bv1 | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6crv | DB06446 | Dotarizine | LRMJAFKKJLRDLE-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m3m | DB14569 | Tedizolid | XFALPSLJIHVRKE-GFCCVEGCSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB12459 | Belotecan | LNHWXBUNXOXMRL-VWLOTQADSA-N | 3CL pro |
| -9.5 | 6w4h | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6m3m | DB01029 | Irbesartan | YOSHYTLCDANDAN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB03447 | Uridylyl-2'-5'-Phospho-Adenosine | QARCCHXXGAIRFS-KPKSGTNCSA-N | PL pro |
| -9.5 | 6m3m | DB01026 | Ketoconazole | XMAYWYJOQHXEEK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6lzg | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6crv | DB13036 | Ramatroban | LDXDSHIEDAPSSA-OAHLLOKOSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | 3CL pro |
| -9.5 | 6m3m | DB03084 | Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | XCTKFTOEAKJMII-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB03397 | Uridine-Diphosphate-N-Acetylglucosamine | LFTYTUAZOPRMMI-CFRASDGPSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB15238 | Olinciguat | YWQFJNWMWZMXRW-HXUWFJFHSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB03300 | Pterin Cytosine Dinucleotide | WKSPNQYEWZEMMI-FEFZDOOUSA-N | PL pro |
| -9.5 | 6m3m | DB14584 | Segesterone | SFLXYFZGKSGFKA-XUDSTZEESA-N | nucleocapsid protein |
| -9.5 | 6cs2 | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB12341 | LY-2456302 | ZHPMYDSXGRRERG-DEOSSOPVSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB07967 | 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE | JJNKDTWKWYLERH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6cs2 | DB07966 | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | NVMCVWOODOWOLT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6vxs | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6cs2 | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB13048 | PAC-1 | YQNRVGJCPCNMKT-LFVJCYFKSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12724 | AZD-7295 | MAQDQJWCSSCURR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6cs2 | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB09181 | Trefentanil | RJSCINHYBGMIFT-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB00972 | Azelastine | MBUVEWMHONZEQD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB09215 | Droxicam | OEHFRZLKGRKFAS-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m3m | DB01337 | Pancuronium | GVEAYVLWDAFXET-XGHATYIMSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB11443 | Orbifloxacin | QIPQASLPWJVQMH-DTORHVGOSA-N | nucleocapsid protein |
| -9.5 | 7bv1 | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6crv | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | OWXORKPNCHJYOF-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB03944 | 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One | IZLRMTJLQCLMKF-CYBMUJFWSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6cs2 | DB15145 | Ziresovir | GAAICKUTDBZCMT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m3m | DB12474 | Lynestrenol | YNVGQYHLRCDXFQ-XGXHKTLJSA-N | nucleocapsid protein |
| -9.5 | 6w4h | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | nsp16 - nsp10 |
| -9.5 | 6w4h | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6m3m | DB12467 | TU-100 | KAYRGFYBCCETPE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB06933 | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | GJTCKUKIFXWJKG-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxs | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6w9c | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | PL pro |
| -9.5 | 6vxs | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6crv | DB12579 | JNJ-37822681 | UVUYWJWYRLJHEN-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB07804 | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE | FKCQUVAGEOSYRU-QWRGUYRKSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12420 | Diazepinomicin | SALVHVNECODMJP-GNUCVDFRSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB07136 | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID | WFFOOKSVFDUPDH-FCHUYYIVSA-N | spike glycoprotein |
| -9.5 | 6w4h | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | nsp16 - nsp10 |
| -9.5 | 6cs2 | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m2n | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | 3CL pro |
| -9.5 | 6crv | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB11952 | Duvelisib | SJVQHLPISAIATJ-ZDUSSCGKSA-N | 3CL pro |
| -9.5 | 6m2n | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | 3CL pro |
| -9.5 | 6crv | DB05239 | Cobimetinib | BSMCAPRUBJMWDF-KRWDZBQOSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12680 | Intepirdine | JJZFWROHYSMCMU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | spike glycoprotein |
| -9.5 | 6w4h | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | nsp16 - nsp10 |
| -9.5 | 6vxx | DB03460 | Violaxanthin | SZCBXWMUOPQSOX-WVJDLNGLSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxx | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB15266 | TAK-580 | VWMJHAFYPMOMGF-ZCFIWIBFSA-N | 3CL pro |
| -9.5 | 6m2n | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m2n | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB12612 | Ozanimod | XRVDGNKRPOAQTN-FQEVSTJZSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB09198 | Lobeglitazone | CHHXEZSCHQVSRE-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB15431 | M-2698 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6crv | DB05424 | Canertinib | OMZCMEYTWSXEPZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB12598 | Nafamostat | MQQNFDZXWVTQEH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | PL pro |
| -9.5 | 6m3m | DB12597 | ABL-001 | VOVZXURTCKPRDQ-CQSZACIVSA-N | nucleocapsid protein |
| -9.5 | 6w4h | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6cs2 | DB15151 | RO-6870810 | PKQXLRYFPSZKDU-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -9.5 | 6lxt | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | S2 unit |
| -9.5 | 6w4h | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6vxx | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB08173 | 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE | UCKHUNHXYMAFQM-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB03907 | N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-Benzamide | UHHBFOLQOQSPLU-WGRQDFERSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6cs2 | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 7bv1 | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB07969 | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | QNCYYRHIUFGGJX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB06781 | Difluprednate | WYQPLTPSGFELIB-JTQPXKBDSA-N | nucleocapsid protein |
| -9.5 | 7bv1 | DB12434 | Steviolbioside | OMHUCGDTACNQEX-OSHKXICASA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6w9c | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m2n | DB01047 | Fluocinonide | WJOHZNCJWYWUJD-IUGZLZTKSA-N | 3CL pro |
| -9.5 | 6m2n | DB04842 | Fluspirilene | QOYHHIBFXOOADH-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6crv | DB15062 | Inarigivir | LYMICVBGNUEHGE-FUQPUAIBSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | PL pro |
| -9.5 | 6m71 | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB08619 | Testosterone succinate | CJQNBXFUHQZFOE-VYAQIDIUSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB05944 | Varlitinib | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | 3CL pro |
| -9.5 | 6crv | DB08498 | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | OVSAMUIBGQSLDC-INIZCTEOSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6cs2 | DB06933 | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | GJTCKUKIFXWJKG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m2n | DB08745 | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | QLHUDNKWOSQSMK-CXUHLZMHSA-N | 3CL pro |
| -9.5 | 6m3m | DB06777 | Chenodeoxycholic acid | RUDATBOHQWOJDD-BSWAIDMHSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB08423 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | QKZZJXRGCHXIAI-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB15055 | ABT-639 | AGPIHNZOZNKRGT-CYBMUJFWSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB06755 | Beta carotene | OENHQHLEOONYIE-JLTXGRSLSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB03797 | 3-Aminomethyl-Pyridinium-Adenine-Dinucleotide | HMCRLFVYYFBZEZ-PLEFRAQWSA-N | 3CL pro |
| -9.5 | 6vxx | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB15358 | JNJ-54175446 | CWFVVQFVGMFTBD-SECBINFHSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m2n | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6crv | DB14634 | Fluprednidene acetate | DEFOZIFYUBUHHU-IYQKUMFPSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -9.5 | 6vxx | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB05653 | IRX-5183 | PNAWUIKCVQSLFG-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6w9c | DB08500 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | ZCJBDRSKHARECB-PYTCMNEWSA-N | PL pro |
| -9.5 | 6w9c | DB14879 | Cefiderocol | DBPPRLRVDVJOCL-FQRUVTKNSA-N | PL pro |
| -9.5 | 6m3m | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB08546 | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | CETLUACQMGBMFH-ZALSBGIRSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB07409 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | MPBUFKZCEBTBSK-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6lxt | DB15132 | AZD-8165 | YUHNXUAATAMVKD-PZJWPPBQSA-N | S2 unit |
| -9.5 | 6vxx | DB11749 | (R)-Praziquantel | FSVJFNAIGNNGKK-KRWDZBQOSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB08521 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | CDMGBJANTYXAIV-HHHXNRCGSA-N | 3CL pro |
| -9.5 | 6crv | DB11750 | Clobetasol | FCSHDIVRCWTZOX-DVTGEIKXSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB12055 | MK-0767 | ORZMUVMQJPGFOM-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6lzg | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6crv | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB08546 | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | CETLUACQMGBMFH-ZALSBGIRSA-N | PL pro |
| -9.5 | 6m3m | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | PL pro |
| -9.5 | 6vxx | DB12597 | ABL-001 | VOVZXURTCKPRDQ-CQSZACIVSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB14723 | Larotrectinib | NYNZQNWKBKUAII-KBXCAEBGSA-N | PL pro |
| -9.5 | 6cs2 | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6w9q | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | nsp9 RNA-replicase |
| -9.5 | 6m3m | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB09075 | Edoxaban | HGVDHZBSSITLCT-JLJPHGGASA-N | 3CL pro |
| -9.5 | 6crv | DB00717 | Norethisterone | VIKNJXKGJWUCNN-XGXHKTLJSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB15450 | PF-05105679 | BXNMZRPTQFVRFA-QGZVFWFLSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m2n | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | 3CL pro |
| -9.5 | 6crv | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6w9c | DB13997 | Baloxavir marboxil | RZVPBGBYGMDSBG-GGAORHGYSA-N | PL pro |
| -9.5 | 6w9c | DB12477 | Perfluoro tert-butylcyclohexane | VLTXBOGHSBHSAC-UHFFFAOYSA-N | PL pro |
| -9.5 | 6w4h | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6crv | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB01003 | Cromoglicic acid | IMZMKUWMOSJXDT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m2n | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6cs2 | DB07245 | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE | AEVBKBAFFJKFJZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB08543 | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE | BZJHCQBNFUNZPJ-QFIPXVFZSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9q | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.5 | 6m3m | DB07804 | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE | FKCQUVAGEOSYRU-QWRGUYRKSA-N | nucleocapsid protein |
| -9.5 | 6lxt | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | S2 unit |
| -9.5 | 6m2n | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB00948 | Mezlocillin | YPBATNHYBCGSSN-VWPFQQQWSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB06622 | 7-beta-Hydroxyepiandrosterone | VFPMCLQMAUVEHD-UCPSWNCLSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB09235 | Efonidipine | NSVFSAJIGAJDMR-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m3m | DB00950 | Fexofenadine | RWTNPBWLLIMQHL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB00621 | Oxandrolone | QSLJIVKCVHQPLV-PEMPUTJUSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | spike glycoprotein |
| -9.5 | 6crv | DB11939 | Henagliflozin | HYTPDMFFHVZBOR-VNXMGFANSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB11867 | JNJ-39393406 | IURMHZBQEYNQOH-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m3m | DB00294 | Etonogestrel | GCKFUYQCUCGESZ-BPIQYHPVSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB04628 | Allosamidin | MDWNFWDBQGOKNZ-XYUDZHFQSA-N | 3CL pro |
| -9.5 | 6w9c | DB11487 | Dexamethasone isonicotinate | BQTXJHAJMDGOFI-NJLPOHDGSA-N | PL pro |
| -9.5 | 6m3m | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6lxt | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | S2 unit |
| -9.5 | 6m2n | DB00845 | Clofazimine | WDQPAMHFFCXSNU-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 7bv1 | DB03005 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | ISUOMOOYAOQQPZ-UHFFFAOYSA-O | nsp12-nsp7-nsp8 |
| -9.5 | 6vxs | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6crv | DB07861 | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide | MMOUXLMPQFMDRD-JOCHJYFZSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB09233 | Cronidipine | CNIJVNPIIHWRRP-UHFFFAOYSA-N | PL pro |
| -9.5 | 6crv | DB08607 | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | GXPHKUHSUJUWKP-NTKDMRAZSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB07882 | 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID | VFIZFTGABDUGCF-UPVHCHBVSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m2n | DB08739 | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | ZSXNPAWXICXNGZ-HNNXBMFYSA-N | 3CL pro |
| -9.5 | 6w9c | DB08973 | Fluclorolone acetonide | NJNWEGFJCGYWQT-VSXGLTOVSA-N | PL pro |
| -9.5 | 6crv | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | spike glycoprotein |
| -9.5 | 6w9c | DB13856 | Fluclorolone | VTWKPILBIUBMDS-OTJLYDAYSA-N | PL pro |
| -9.5 | 6lzg | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6m3m | DB08709 | 2,3-diphenyl-1H-indole-7-carboxylic acid | OLUDUXWVPIEHDA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB09239 | Niguldipine | SVJMLYUFVDMUHP-XIFFEERXSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m2n | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxx | DB15157 | Voruciclib | MRPGRAKIAJJGMM-OCCSQVGLSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB15046 | LY-2881835 | FHRWHNJJQGSCQC-LJAQVGFWSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB13756 | Peruvoside | PMTSPAGBAFCORP-HBUONDEYSA-N | PL pro |
| -9.5 | 6m3m | DB06721 | Gimatecan | UIVFUQKYVFCEKJ-OPTOVBNMSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | spike glycoprotein |
| -9.5 | 6m3m | DB02659 | Cholic Acid | BHQCQFFYRZLCQQ-OELDTZBJSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB00606 | Cyclothiazide | BOCUKUHCLICSIY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6cs2 | DB12412 | Gemigliptin | ZWPRRQZNBDYKLH-VIFPVBQESA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB12052 | Icariin | TZJALUIVHRYQQB-XLRXWWTNSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB09238 | Manidipine | ANEBWFXPVPTEET-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB12130 | Lorlatinib | IIXWYSCJSQVBQM-LLVKDONJSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m3m | DB05016 | Ataluren | OOUGLTULBSNHNF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB07340 | N-6-cyclohexyl-N-2-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | ZFLJHSQHILSNCM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB00578 | Carbenicillin | FPPNZSSZRUTDAP-UWFZAAFLSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB06897 | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol | MMGKIHLBFPJYJL-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6vxs | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m3m | DB05288 | Anecortave acetate | YUWPMEXLKGOSBF-GACAOOTBSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | PL pro |
| -9.5 | 6crv | DB07704 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | UKRVQKUVWNDGMN-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m71 | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB15418 | AZD-9977 | MBKYLPOPYYLTNW-ZDUSSCGKSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB00901 | Bitolterol | FZGVEKPRDOIXJY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB07006 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE | AOGOZJCRIFBTTN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB07141 | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | QVXYJVHNRPNRJL-HNNXBMFYSA-N | nucleocapsid protein |
| -9.5 | 6m71 | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxx | DB09183 | Dasabuvir | NBRBXGKOEOGLOI-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6lxt | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | S2 unit |
| -9.5 | 6m3m | DB08423 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | QKZZJXRGCHXIAI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB14037 | Madecassic acid | PRAUVHZJPXOEIF-AOLYGAPISA-N | spike glycoprotein |
| -9.5 | 6crv | DB02241 | 8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | HOSWCJDTHOAORT-SANMLTNESA-N | spike glycoprotein |
| -9.5 | 6w9c | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m71 | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6cs2 | DB08446 | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile | OHQMEDBYNUAVNE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m3m | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | nucleocapsid protein |
| -9.5 | 6vxs | DB00950 | Fexofenadine | RWTNPBWLLIMQHL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m71 | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB00894 | Testolactone | BPEWUONYVDABNZ-DZBHQSCQSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB02241 | 8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | HOSWCJDTHOAORT-SANMLTNESA-N | spike glycoprotein |
| -9.5 | 6w9c | DB08080 | LATRUNCULIN B | NSHPHXHGRHSMIK-JRIKCGFMSA-N | PL pro |
| -9.5 | 7bv1 | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxx | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6cs2 | DB12588 | AZD-1480 | PDOQBOJDRPLBQU-QMMMGPOBSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB11828 | Neratinib | JWNPDZNEKVCWMY-VQHVLOKHSA-N | spike glycoprotein |
| -9.5 | 6m71 | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxx | DB08500 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | ZCJBDRSKHARECB-PYTCMNEWSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB08448 | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol | PCBWLKUEKANDCL-INIZCTEOSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | PL pro |
| -9.5 | 6vxx | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | spike glycoprotein |
| -9.5 | 6w9c | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | PL pro |
| -9.5 | 6m3m | DB08365 | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide | XUAHLMVOYLUYSB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m3m | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | nucleocapsid protein |
| -9.5 | 7bv1 | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxx | DB08861 | DPDPE | MCMMCRYPQBNCPH-WMIMKTLMSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB13571 | Pentamycin | AGJUUQSLGVCRQA-SWOUQTJZSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m3m | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB05239 | Cobimetinib | BSMCAPRUBJMWDF-KRWDZBQOSA-N | 3CL pro |
| -9.5 | 6m3m | DB15431 | M-2698 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB01016 | Glyburide | ZNNLBTZKUZBEKO-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | 3CL pro |
| -9.5 | 6m3m | DB01541 | Boldenone | RSIHSRDYCUFFLA-DYKIIFRCSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m3m | DB08353 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | NCVMTHVSAJMOPI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB09053 | Ibrutinib | XYFPWWZEPKGCCK-GOSISDBHSA-N | 3CL pro |
| -9.5 | 6crv | DB11816 | Omecamtiv Mecarbil | RFUBTTPMWSKEIW-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB07410 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | BYVXAUZOTGITQZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB08521 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | CDMGBJANTYXAIV-HHHXNRCGSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | PL pro |
| -9.5 | 6m3m | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB08656 | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide | UVERBUNNCOKGNZ-CQSZACIVSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | spike glycoprotein |
| -9.5 | 6crv | DB02102 | DMP450 | KYRSNWPSSXSNEP-ZRTHHSRSSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | 3CL pro |
| -9.5 | 6w9c | DB07270 | N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE | GAYYMURZGLJDCT-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m71 | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m2n | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxx | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB08504 | 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM | ZNHVIJAGMFQGMS-IHPCNDPISA-N | nucleocapsid protein |
| -9.5 | 6m71 | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m2n | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6w9c | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | PL pro |
| -9.5 | 6crv | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m3m | DB04908 | Flibanserin | PPRRDFIXUUSXRA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB13606 | Phenazocine | ZQHYKVKNPWDQSL-KNXBSLHKSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB07242 | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | XGUIMGJMQKZRGM-LLVKDONJSA-N | PL pro |
| -9.5 | 6cs2 | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | ACE2 area for S-protein binding |
| -9.5 | 6vxx | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB08037 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide | MYBGWENAVMIGMM-GIFXNVAJSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB07226 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE | JWZVNUNTFNELHL-UHFFFAOYSA-N | PL pro |
| -9.5 | 6vxx | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | nucleocapsid protein |
| -9.5 | 6lzg | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.5 | 6w9c | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | PL pro |
| -9.5 | 6vxx | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB07340 | N-6-cyclohexyl-N-2-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | ZFLJHSQHILSNCM-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB02049 | 2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide | QOPFTBAEAJQKSY-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB00568 | Cinnarizine | DERZBLKQOCDDDZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m2n | DB01016 | Glyburide | ZNNLBTZKUZBEKO-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB04862 | Merimepodib | JBPUGFODGPKTDW-SFHVURJKSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB00153 | Ergocalciferol | MECHNRXZTMCUDQ-RKHKHRCZSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB00218 | Moxifloxacin | FABPRXSRWADJSP-MEDUHNTESA-N | nucleocapsid protein |
| -9.5 | 6crv | DB07855 | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | CWHMAWBXRCDOEB-HNNXBMFYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB07144 | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | XZXVRKHUCSXVBM-AWEZNQCLSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB00220 | Nelfinavir | QAGYKUNXZHXKMR-HKWSIXNMSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB07426 | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | NWIARQRYIRVYCM-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | PL pro |
| -9.5 | 6crv | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | PL pro |
| -9.5 | 6m3m | DB07186 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE | TYYNSDQVFIOSFH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB08239 | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | NKLVBHMAIMEVEH-QFIPXVFZSA-N | PL pro |
| -9.5 | 6crv | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB07630 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-IAGOWNOFSA-N | spike glycoprotein |
| -9.5 | 6crv | DB02155 | Balanol Analog 8 | XVLMXAUKCDSMMW-YXLARRHKSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB12743 | Z-160 | VCPMZDWBEWTGNW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB07359 | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide | SJTQKYKXCYVFHX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB15173 | JNJ-42165279 | YWGYNGCRVZLMCS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB08096 | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM | ZWKOUFZHPNIQSH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB08094 | (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE | JRNJNYBQQYBCLE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w4h | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.5 | 6m3m | DB08092 | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide | VMLSXFMXUNVCSK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6cs2 | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m3m | DB00873 | Loteprednol | YPZVAYHNBBHPTO-MXRBDKCISA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | nucleocapsid protein |
| -9.5 | 6crv | DB11759 | Pevonedistat | MPUQHZXIXSTTDU-QXGSTGNESA-N | spike glycoprotein |
| -9.5 | 6vxx | DB11763 | Momelotinib | ZVHNDZWQTBEVRY-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB08489 | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE | GCBPAPVOMPJQHK-NQIIRXRSSA-N | spike glycoprotein |
| -9.5 | 6vxs | DB03363 | 3-Acetylpyridine Adenine Dinucleotide | KPVQNXLUPNWQHM-RBEMOOQDSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6crv | DB02998 | Metribolone | CCCIJQPRIXGQOE-XWSJACJDSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB08305 | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | KQAGZLQCEURCKJ-QGZVFWFLSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB06414 | Etravirine | PYGWGZALEOIKDF-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxx | DB12165 | Presatovir | GOFXWTVKPWJNGD-UWJYYQICSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m2n | DB04514 | Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester | DFYLLEBFVZTKHD-VMIOUTBZSA-N | 3CL pro |
| -9.5 | 6m2n | DB11743 | Ipatasertib | GRZXWCHAXNAUHY-NSISKUIASA-N | 3CL pro |
| -9.5 | 6m3m | DB02241 | 8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | HOSWCJDTHOAORT-SANMLTNESA-N | nucleocapsid protein |
| -9.5 | 6vxs | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6vxx | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 7bv1 | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxs | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6cs2 | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | ACE2 area for S-protein binding |
| -9.5 | 6w9c | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | PL pro |
| -9.5 | 6w9c | DB11793 | Niraparib | PCHKPVIQAHNQLW-CQSZACIVSA-N | PL pro |
| -9.5 | 6crv | DB03126 | Mant-Adp | QPKUEBLEGWBRHC-BFHYXJOUSA-N | spike glycoprotein |
| -9.5 | 6m71 | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6w9c | DB12073 | Albaconazole | UHIXWHUVLCAJQL-MPBGBICISA-N | PL pro |
| -9.5 | 6m3m | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6lxt | DB13648 | Alcuronium | MUQUYTSLDVKIOF-CHJKCJHBSA-N | S2 unit |
| -9.5 | 6vxx | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6w9q | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | nsp9 RNA-replicase |
| -9.5 | 6m71 | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m2n | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | 3CL pro |
| -9.5 | 6w9c | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m2n | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6lxt | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | S2 unit |
| -9.5 | 6m2n | DB13756 | Peruvoside | PMTSPAGBAFCORP-HBUONDEYSA-N | 3CL pro |
| -9.5 | 6crv | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | PL pro |
| -9.5 | 6crv | DB00197 | Troglitazone | GXPHKUHSUJUWKP-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | spike glycoprotein |
| -9.5 | 6w9c | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | PL pro |
| -9.5 | 6m3m | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | nucleocapsid protein |
| -9.5 | 6crv | DB00367 | Levonorgestrel | WWYNJERNGUHSAO-XUDSTZEESA-N | spike glycoprotein |
| -9.5 | 6m2n | DB01180 | Rescinnamine | SZLZWPPUNLXJEA-LAFLMMDJSA-N | 3CL pro |
| -9.5 | 6m2n | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6vxx | DB07689 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | NYNAFINLHQEHKU-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB03157 | N,O-Didansyl-L-Tyrosine | LUBOPDUYHWABFG-NDEPHWFRSA-N | spike glycoprotein |
| -9.5 | 6crv | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB07688 | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | RPJIMTALCNCQLV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w4b | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | nsp9 |
| -9.5 | 6m2n | DB15356 | SLV-334 | LOFDNSDPZTVIIO-VPUSJEBWSA-N | 3CL pro |
| -9.5 | 6crv | DB12412 | Gemigliptin | ZWPRRQZNBDYKLH-VIFPVBQESA-N | spike glycoprotein |
| -9.5 | 6m71 | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB01162 | Terazosin | VCKUSRYTPJJLNI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB08488 | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE | PLWVUIRWJVKSSD-XBXARRHUSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB00635 | Prednisone | XOFYZVNMUHMLCC-ZPOLXVRWSA-N | nucleocapsid protein |
| -9.5 | 6w9c | DB12996 | Acteoside | FBSKJMQYURKNSU-ZLSOWSIRSA-N | PL pro |
| -9.5 | 6m2n | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m2n | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6cs2 | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6w9c | DB12364 | Betrixaban | XHOLNRLADUSQLD-UHFFFAOYSA-N | PL pro |
| -9.5 | 6cs2 | DB13024 | MK-8245 | UJEAABFSXKCSGI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m71 | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxx | DB15266 | TAK-580 | VWMJHAFYPMOMGF-ZCFIWIBFSA-N | spike glycoprotein |
| -9.5 | 6crv | DB08486 | Efaproxiral | BNFRJXLZYUTIII-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6vxx | DB07252 | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | TZHCXOMEOHEZDX-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB11703 | Acalabrutinib | WDENQIQQYWYTPO-IBGZPJMESA-N | spike glycoprotein |
| -9.5 | 6m3m | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB07537 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide | CLEGTVIMOPPIBR-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6crv | DB08460 | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile | KXDIHAQCVNNLIB-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | spike glycoprotein |
| -9.5 | 6crv | DB13499 | Cefsulodin | SYLKGLMBLAAGSC-QLVMHMETSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | 3CL pro |
| -9.5 | 6crv | DB07875 | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide | ARAVOODWJJJNBY-IRXDYDNUSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6crv | DB00246 | Ziprasidone | MVWVFYHBGMAFLY-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB01745 | N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester | JJLGQWCKMHPBEB-DEOSSOPVSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB02789 | Pregnenolone | ORNBQBCIOKFOEO-QGVNFLHTSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB15287 | Elismetrep | CWEFDWIKLABKBX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6w4b | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | nsp9 |
| -9.5 | 6m2n | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m2n | DB06590 | Ceftaroline fosamil | ZCCUWMICIWSJIX-NQJJCJBVSA-N | 3CL pro |
| -9.5 | 6crv | DB00485 | Dicloxacillin | YFAGHNZHGGCZAX-JKIFEVAISA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB06194 | Elocalcitol | LRLWXBHFPGSUOX-GJQYOBCGSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6vxx | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6crv | DB00153 | Ergocalciferol | MECHNRXZTMCUDQ-RKHKHRCZSA-N | spike glycoprotein |
| -9.5 | 6crv | DB07946 | N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide | DZEJHPMTDNDECN-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB06347 | Cenisertib | KSOVGRCOLZZTPF-QMKUDKLTSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB15281 | Ravoxertinib | RZUOCXOYPYGSKL-GOSISDBHSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m2n | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | 3CL pro |
| -9.5 | 6lxt | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | S2 unit |
| -9.5 | 6w9c | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | PL pro |
| -9.5 | 6w9c | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | PL pro |
| -9.5 | 6m3m | DB15003 | PF-06700841 | BUWBRTXGQRBBHG-MJBXVCDLSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | nucleocapsid protein |
| -9.5 | 7bv1 | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6w9c | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | PL pro |
| -9.5 | 6vxs | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6m2n | DB04298 | 3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One | ZEBFKFGJWHOOST-LJAQVGFWSA-N | 3CL pro |
| -9.5 | 6crv | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 7bv1 | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB06364 | XR5944 | SFOADSRLCHRTKT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6cs2 | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m2n | DB09034 | Suvorexant | JYTNQNCOQXFQPK-MRXNPFEDSA-N | 3CL pro |
| -9.5 | 6m3m | DB07770 | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID | DJPFUQBNQLKCAB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6vxs | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.5 | 6w9c | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | PL pro |
| -9.5 | 6cs2 | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6m2n | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | 3CL pro |
| -9.5 | 6m3m | DB07765 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | UKCFUFHREWUXJJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 7bv1 | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | nsp12-nsp7-nsp8 |
| -9.5 | 6m3m | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.5 | 6m3m | DB07663 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | QISJEFYTLZTWIQ-CQSZACIVSA-N | nucleocapsid protein |
| -9.5 | 6vxx | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.5 | 6m3m | DB00713 | Oxacillin | UWYHMGVUTGAWSP-JKIFEVAISA-N | nucleocapsid protein |
| -9.5 | 6crv | DB03161 | Thymidine-5'-Diphospho-Beta-D-Xylose | AJUADKZRQSBUAK-KDGZBOQCSA-N | spike glycoprotein |
| -9.5 | 6cs2 | DB07729 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | GAKOBKPDJJGRIL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6vxx | DB07019 | N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1-7,11-]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE | QWDOKZPZLWNULU-MZNJEOGPSA-N | spike glycoprotein |
| -9.5 | 6w9q | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.5 | 6w9c | DB12764 | ABC-294640 | CAOTVXGYTWCKQE-UHFFFAOYSA-N | PL pro |
| -9.5 | 6cs2 | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.5 | 6vxx | DB11878 | Filibuvir | SLVAPEZTBDBAPI-GDLZYMKVSA-N | spike glycoprotein |
| -9.5 | 6m2n | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | 3CL pro |
| -9.5 | 6vxs | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB06166 | Fosdevirine | CGBYTKOSZYQOPV-CCEZBSFNSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB12477 | Perfluoro tert-butylcyclohexane | VLTXBOGHSBHSAC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12341 | LY-2456302 | ZHPMYDSXGRRERG-DEOSSOPVSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB00445 | Epirubicin | AOJJSUZBOXZQNB-VTZDEGQISA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | spike glycoprotein |
| -9.4 | 6crv | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | spike glycoprotein |
| -9.4 | 6m2n | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | 3CL pro |
| -9.4 | 6lxt | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6m3m | DB07215 | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID | ILUPZUOBHCUBKB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | PL pro |
| -9.4 | 6w9c | DB15356 | SLV-334 | LOFDNSDPZTVIIO-VPUSJEBWSA-N | PL pro |
| -9.4 | 6w9c | DB08448 | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol | PCBWLKUEKANDCL-INIZCTEOSA-N | PL pro |
| -9.4 | 7bv1 | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB15170 | Evobrutinib | QUIWHXQETADMGN-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | spike glycoprotein |
| -9.4 | 6m71 | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w9c | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | PL pro |
| -9.4 | 6crv | DB04471 | 2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | FMWVCTJKLAVRPB-MUUNZHRXSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB00251 | Terconazole | BLSQLHNBWJLIBQ-OZXSUGGESA-N | 3CL pro |
| -9.4 | 6m3m | DB15406 | GLPG-0974 | MPMKMQHJHDHPBE-RUZDIDTESA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB08123 | N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | GEWPSTLKJDIUHW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6vxs | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m2n | DB14034 | Darglitazone | QQKNSPHAFATFNQ-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6cs2 | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w4h | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6w9c | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | PL pro |
| -9.4 | 6lxt | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6vxx | DB04196 | Pteroic Acid | JOAQINSXLLMRCV-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6vxx | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB07716 | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL | VDRIXSJOPKVWKM-HXGIDPQASA-N | 3CL pro |
| -9.4 | 6w9c | DB15099 | GW-468816 | XDKRVNKVAKCFGW-WXWBBQJKSA-N | PL pro |
| -9.4 | 6vxx | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07493 | (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE | IEQQJQHHJMQETK-YPKPFQOOSA-N | nucleocapsid protein |
| -9.4 | 6m71 | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB00693 | Fluorescein | GNBHRKFJIUUOQI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07486 | 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline | KLSZVPNVFKKIRD-FNORWQNLSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB08063 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE | HLZMYWLMBBLASX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB03337 | 1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea | ZHCAYBOLUMAUQX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB11992 | Omarigliptin | MKMPWKUAHLTIBJ-ISTRZQFTSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB15105 | PF-06751979 | ZLZUHACSRMOLLV-RAALSFIWSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w9c | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | PL pro |
| -9.4 | 6crv | DB11841 | Entinostat | INVTYAOGFAGBOE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | PL pro |
| -9.4 | 6w9c | DB15431 | M-2698 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | PL pro |
| -9.4 | 6cs2 | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6cs2 | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w9c | DB15029 | AZD-8186 | LMJFJIDLEAWOQJ-CQSZACIVSA-N | PL pro |
| -9.4 | 6m3m | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB11979 | Elagolix | HEAUOKZIVMZVQL-VWLOTQADSA-N | spike glycoprotein |
| -9.4 | 6m71 | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6cs2 | DB07000 | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | ILXJWLWSYAWJKZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6vxs | DB00984 | Nandrolone phenpropionate | UBWXUGDQUBIEIZ-QNTYDACNSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6lzg | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.4 | 6crv | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | spike glycoprotein |
| -9.4 | 6crv | DB07519 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | VDFBMQAUECXNKR-OAQYLSRUSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | PL pro |
| -9.4 | 6m71 | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6vxs | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB07410 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | BYVXAUZOTGITQZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 7bv1 | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6cs2 | DB07064 | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE | HPVCRUIDFODATB-LJQANCHMSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m2n | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 7bv1 | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w9c | DB11430 | Monensin | GAOZTHIDHYLHMS-KEOBGNEYSA-N | PL pro |
| -9.4 | 6vxs | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB03791 | (3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid | NAXSRXHZFIBFMI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12408 | PF-03635659 | WGOJWDWKHJHXSV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB11912 | Lanopepden | SWHNZGMQMGFQGW-MSOLQXFVSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB00663 | Flumethasone | WXURHACBFYSXBI-GQKYHHCASA-N | PL pro |
| -9.4 | 6crv | DB04258 | Seocalcitol | LVLLALCJVJNGQQ-SEODYNFXSA-N | spike glycoprotein |
| -9.4 | 6lzg | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.4 | 6w4h | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | nsp16 - nsp10 |
| -9.4 | 6wiq | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | nsp7-nsp8 |
| -9.4 | 6m3m | DB08191 | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | KSFDVNIKNYXUIP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB11886 | Infigratinib | QADPYRIHXKWUSV-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6vxs | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB14583 | Segesterone acetate | CKFBRGLGTWAVLG-GOMYTPFNSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | ACE2 area for S-protein binding |
| -9.4 | 6vxx | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB12394 | Eleclazine | YNUAEEJQYHYLMS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | 3CL pro |
| -9.4 | 6cs2 | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | ACE2 area for S-protein binding |
| -9.4 | 6crv | DB07000 | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | ILXJWLWSYAWJKZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB08170 | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE | AYFCYVLVRYQGME-QGZVFWFLSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | ACE2 area for S-protein binding |
| -9.4 | 6cs2 | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w4h | DB08549 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | MFDBNNQUDZFSES-KRWDZBQOSA-N | nsp16 - nsp10 |
| -9.4 | 6cs2 | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB08304 | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | QZBQVXXESPXFPZ-QGZVFWFLSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB12467 | TU-100 | KAYRGFYBCCETPE-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m2n | DB12380 | GDC-0152 | WZRFLSDVFPIXOV-LRQRDZAKSA-N | 3CL pro |
| -9.4 | 6lxt | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | S2 unit |
| -9.4 | 6crv | DB14903 | Rovafovir etalafenamide | OCJRRXHWPBXZSU-BJBBEUPESA-N | spike glycoprotein |
| -9.4 | 6crv | DB01569 | Formebolone | AMVODTGMYSRMNP-GNIMZFFESA-N | spike glycoprotein |
| -9.4 | 6crv | DB12416 | VTP-27999 | NXWASIVXQMMPLM-ZXMXYHOLSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07078 | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE | AYSXURJZVXBSRV-WJDWOHSUSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB02998 | Metribolone | CCCIJQPRIXGQOE-XWSJACJDSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | PL pro |
| -9.4 | 6crv | DB12211 | PSI-697 | DIEPFYNZGUUVHD-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB13052 | Upamostat | HUASEDVYRABWCV-NDEPHWFRSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB07080 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | SGIWFELWJPNFDH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB11806 | VTP-194204 | BOOOLEGQBVUTKC-NVQSDHBMSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB11742 | Ebastine | MJJALKDDGIKVBE-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6w9c | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | PL pro |
| -9.4 | 7bv1 | DB03678 | (6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine | WVGZKPGUHOZIJQ-HNNXBMFYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6vxx | DB02873 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One | YAWZIQKDHQIHOS-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB11385 | Cefalonium | FMZXNVLFJHCSAF-DNVCBOLYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB11903 | GW842166 | TWQYWUXBZHPIIV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB07654 | (5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC | VDJWWYRYKMXMKA-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB01029 | Irbesartan | YOSHYTLCDANDAN-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB00694 | Daunorubicin | STQGQHZAVUOBTE-VGBVRHCVSA-N | PL pro |
| -9.4 | 6m71 | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | nsp12-nsp7-nsp8 |
| -9.4 | 7bv1 | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m2n | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m3m | DB01975 | AMPCPR | ZPZRETFSCSWNDT-DBXCYWGHSA-N | nucleocapsid protein |
| -9.4 | 6vxs | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB07156 | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione | JFEKAVPMVOLVTH-UNOMPAQXSA-N | nucleocapsid protein |
| -9.4 | 6w4h | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | nsp16 - nsp10 |
| -9.4 | 6m2n | DB00220 | Nelfinavir | QAGYKUNXZHXKMR-HKWSIXNMSA-N | 3CL pro |
| -9.4 | 6vxx | DB15297 | Petesicatib | KXAAIORSMACJSI-AEFFLSMTSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB00445 | Epirubicin | AOJJSUZBOXZQNB-VTZDEGQISA-N | PL pro |
| -9.4 | 6m3m | DB13958 | Trestolone acetate | IVCRCPJOLWECJU-XQVQQVTHSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | spike glycoprotein |
| -9.4 | 6crv | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB06230 | Nalmefene | WJBLNOPPDWQMCH-MBPVOVBZSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB00984 | Nandrolone phenpropionate | UBWXUGDQUBIEIZ-QNTYDACNSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 7bv1 | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w9c | DB12598 | Nafamostat | MQQNFDZXWVTQEH-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m3m | DB07159 | Tamatinib | NHHQJBCNYHBUSI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12350 | Rostafuroxin | AEAPORIZZWBIEX-DTBDINHYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB07458 | 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-KRWDZBQOSA-N | 3CL pro |
| -9.4 | 6w4h | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6cs2 | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -9.4 | 6crv | DB08239 | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | NKLVBHMAIMEVEH-QFIPXVFZSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w4h | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | nsp16 - nsp10 |
| -9.4 | 6w9c | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | PL pro |
| -9.4 | 6m3m | DB12364 | Betrixaban | XHOLNRLADUSQLD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 7bv1 | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 7bv1 | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB06237 | Avanafil | WEAJZXNPAWBCOA-INIZCTEOSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | ACE2 area for S-protein binding |
| -9.4 | 6cs2 | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w9c | DB05838 | OPC-51803 | INGXCNVWWKKWOO-LJQANCHMSA-N | PL pro |
| -9.4 | 6crv | DB07909 | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL | OBWILOKKNDYPLX-HBMCJLEFSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | nucleocapsid protein |
| -9.4 | 6lxt | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6m2n | DB12637 | Onapristone | IEXUMDBQLIVNHZ-YOUGDJEHSA-N | 3CL pro |
| -9.4 | 6vxx | DB12229 | Cerlapirdine | NXQGEDVQXVTCDA-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6lzg | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.4 | 6w9c | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | PL pro |
| -9.4 | 6vxx | DB15307 | Atabecestat | VLLFGVHGKLDDLW-SFHVURJKSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | PL pro |
| -9.4 | 6m2n | DB00997 | Doxorubicin | AOJJSUZBOXZQNB-TZSSRYMLSA-N | 3CL pro |
| -9.4 | 6crv | DB06250 | Fluasterone | VHZXNQKVFDBFIK-NBBHSKLNSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07550 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | ZIGSBBKEPNQXRG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB04623 | 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | CGBRFCVAMLJVEA-ZGURCIGKSA-N | nucleocapsid protein |
| -9.4 | 6lxt | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | S2 unit |
| -9.4 | 6w9c | DB00522 | Bentiromide | SPPTWHFVYKCNNK-FQEVSTJZSA-N | PL pro |
| -9.4 | 6crv | DB08462 | N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE | JGWHILNNHLDARR-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB12436 | Vofopitant | XILNRORTJVDYRH-HKUYNNGSSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB08950 | Indoramin | JXZZEXZZKAWDSP-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB04023 | Guanosine 5'-(Trihydrogen Diphosphate), P'-D-Mannopyranosyl Ester | DNBSDUDYNPJVCN-ZXTXFPBHSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB15057 | NUC-1031 | NHTKGYOMICWFQZ-KKQYNPQSSA-N | 3CL pro |
| -9.4 | 6vxx | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB06249 | Arzoxifene | MCGDSOGUHLTADD-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB12725 | TD-8954 | MZOITCJKGUIQEI-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6cs2 | DB07909 | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL | OBWILOKKNDYPLX-HBMCJLEFSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB12857 | NVP-LEQ-506 | POERAARDVFVDLO-QGZVFWFLSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12167 | LY-3023414 | ACCFLVVUVBJNGT-AWEZNQCLSA-N | nucleocapsid protein |
| -9.4 | 6lxt | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6m3m | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB02698 | N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid | NQOOJFXBGLOGTC-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB01328 | Cefonicid | DYAIAHUQIPBDIP-AXAPSJFSSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB11730 | Ribociclib | RHXHGRAEPCAFML-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 7bv1 | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6vxx | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | spike glycoprotein |
| -9.4 | 6m3m | DB12665 | Isoquercetin | OVSQVDMCBVZWGM-QSOFNFLRSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w9c | DB09075 | Edoxaban | HGVDHZBSSITLCT-JLJPHGGASA-N | PL pro |
| -9.4 | 6cs2 | DB12960 | INCB-9471 | ZMCJFJZOSKEMOM-DNKZPPIMSA-N | ACE2 area for S-protein binding |
| -9.4 | 6lxt | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6vxs | DB07629 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-DLBZAZTESA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB11892 | Prulifloxacin | PWNMXPDKBYZCOO-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB05511 | Piclidenoson | HUJXGQILHAUCCV-MOROJQBDSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB14876 | TAS-116 | NVVPMZUGELHVMH-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB07607 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | RXDZANYWRNIAOR-HHHXNRCGSA-N | 3CL pro |
| -9.4 | 6crv | DB08494 | S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate | AWAKIULNKVOBKE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | 3CL pro |
| -9.4 | 6lzg | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.4 | 7bv1 | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB07717 | (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | AJODXHGZHBERGJ-JLYQOUBASA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB11424 | Lufenuron | PWPJGUXAGUPAHP-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6w4b | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | nsp9 |
| -9.4 | 6vxx | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6w9c | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | PL pro |
| -9.4 | 6w4h | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6crv | DB04630 | Aldosterone | PQSUYGKTWSAVDQ-ZVIOFETBSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB03837 | Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide | YUMYYTORLYHUFW-ZUDLOMHPSA-N | 3CL pro |
| -9.4 | 6vxx | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | PL pro |
| -9.4 | 6w9c | DB08912 | Dabrafenib | BFSMGDJOXZAERB-UHFFFAOYSA-N | PL pro |
| -9.4 | 6crv | DB11951 | Lemborexant | MUGXRYIUWFITCP-PGRDOPGGSA-N | spike glycoprotein |
| -9.4 | 6crv | DB08735 | R,S-Warfarin alcohol | ZUJMMGHIYSAEOU-SWLSCSKDSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6cs2 | DB06916 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE | LBCGUKCXRVUULK-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w4h | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | nsp16 - nsp10 |
| -9.4 | 7bv1 | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB04690 | Camptothecin | VSJKWCGYPAHWDS-FQEVSTJZSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6cs2 | DB08064 | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | NTMADESEDXKNFZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB02882 | Cyanocinnoline | CUWRVIIPSSUUDJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12565 | Abexinostat | MAUCONCHVWBMHK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB01261 | Sitagliptin | MFFMDFFZMYYVKS-SECBINFHSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | 3CL pro |
| -9.4 | 6w4h | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6crv | DB04652 | Corticosterone | OMFXVFTZEKFJBZ-HJTSIMOOSA-N | spike glycoprotein |
| -9.4 | 6crv | DB07157 | (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE | RTFGEFWZCFCODU-RBUKOAKNSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07843 | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE | LTJNKFUIOOJXNJ-WFASDCNBSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB07848 | 5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide | BHNMMFGOJRIAEZ-LRDDRELGSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB12867 | Benperidol | FEBOTPHFXYHVPL-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | ACE2 area for S-protein binding |
| -9.4 | 6crv | DB12515 | 9-aminocamptothecin | FUXVKZWTXQUGMW-FQEVSTJZSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB12477 | Perfluoro tert-butylcyclohexane | VLTXBOGHSBHSAC-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | 3CL pro |
| -9.4 | 6cs2 | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB07375 | 5-BETA-ANDROSTANE-3,17-DIONE | RAJWOBJTTGJROA-QJISAEMRSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB15031 | Nemorexant | NBGABHGMJVIVBW-QHCPKHFHSA-N | 3CL pro |
| -9.4 | 6crv | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB07567 | (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL | XPVKGTWRXBSJKO-LHXLBICKSA-N | 3CL pro |
| -9.4 | 6m3m | DB07395 | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | NWQGDIBCFLDHDO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB07488 | {(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE | XQKUGFIWKSKCDL-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB15219 | Tomivosertib | HKTBYUWLRDZAJK-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB11885 | Anlotinib | KSMZEXLVHXZPEF-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | PL pro |
| -9.4 | 6w9c | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | PL pro |
| -9.4 | 6crv | DB04761 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE] | NHPBWKYFMTXWAA-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB08709 | 2,3-diphenyl-1H-indole-7-carboxylic acid | OLUDUXWVPIEHDA-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6w9c | DB11577 | Indigotindisulfonic Acid | CFZXDJWFRVEWSR-BUHFOSPRSA-N | PL pro |
| -9.4 | 6crv | DB01434 | 19-norandrostenedione | JRIZOGLBRPZBLQ-QXUSFIETSA-N | spike glycoprotein |
| -9.4 | 6w4h | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6lxt | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | S2 unit |
| -9.4 | 6w4h | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6m3m | DB07783 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | GUYYFMCFEPDDFL-OAQYLSRUSA-N | nucleocapsid protein |
| -9.4 | 6vxs | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB07778 | FAMOXADONE | PCCSBWNGDMYFCW-QFIPXVFZSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB11871 | PF-00610355 | YPHDIMUXXABSSO-YTTGMZPUSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB01479 | BA-2664 | QGKQXZFZOIQFBI-XSWYFRFISA-N | nucleocapsid protein |
| -9.4 | 6crv | DB13954 | Estradiol cypionate | UOACKFBJUYNSLK-XRKIENNPSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6vxs | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB07146 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE | QUIQCYFSBGOBKE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m71 | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w4h | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | nsp16 - nsp10 |
| -9.4 | 6w9c | DB11692 | Pavinetant | QYTBBBAHNIWFOD-NRFANRHFSA-N | PL pro |
| -9.4 | 6w4h | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6m2n | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m3m | DB12580 | Tradipitant | CAVRKWRKTNINFF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6lxt | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6cs2 | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB13101 | 4SC-202 | PRXXYMVLYKJITB-IZZDOVSWSA-N | 3CL pro |
| -9.4 | 6m2n | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6crv | DB15431 | M-2698 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB03213 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone | VVVXDHROXQUONB-UHFFFAOYSA-P | ACE2 area for S-protein binding |
| -9.4 | 6vxx | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6lxt | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | S2 unit |
| -9.4 | 6lxt | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | S2 unit |
| -9.4 | 6vxx | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w9c | DB11666 | Buparlisib | CWHUFRVAEUJCEF-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m2n | DB01792 | Adenylyl-3'-5'-Phospho-Uridine-3'-Monophosphate | FZCSEXOMUJFOHQ-KPKSGTNCSA-N | 3CL pro |
| -9.4 | 6vxx | DB02466 | 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid | ZXQHMEUGMCXKLO-KPKJPENVSA-N | spike glycoprotein |
| -9.4 | 6crv | DB08191 | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | KSFDVNIKNYXUIP-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB01572 | Methyl-1-testosterone | JRNSSSJKIGAFCT-YDSAWKJFSA-N | nucleocapsid protein |
| -9.4 | 6w4h | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | nsp16 - nsp10 |
| -9.4 | 6m2n | DB15029 | AZD-8186 | LMJFJIDLEAWOQJ-CQSZACIVSA-N | 3CL pro |
| -9.4 | 6crv | DB07804 | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE | FKCQUVAGEOSYRU-QWRGUYRKSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB03495 | 4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose | FZLCJZILHGFQLM-PISLJJGOSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB12563 | MK-0686 | WZZIQHIQMWJNLU-LLVKDONJSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB04706 | (3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL | OYXZMSRRJOYLLO-KGZHIOMZSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6vxs | DB14034 | Darglitazone | QQKNSPHAFATFNQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w9c | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | PL pro |
| -9.4 | 6m3m | DB02877 | Arotinoid acid | FOIVPCKZDPCJJY-JQIJEIRASA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12055 | MK-0767 | ORZMUVMQJPGFOM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w4h | DB11487 | Dexamethasone isonicotinate | BQTXJHAJMDGOFI-NJLPOHDGSA-N | nsp16 - nsp10 |
| -9.4 | 6m2n | DB04882 | Edotecarin | QMVPQBFHUJZJCS-NTKFZFFISA-N | 3CL pro |
| -9.4 | 6m3m | DB12492 | Piritramide | IHEHEFLXQFOQJO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6lxt | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | S2 unit |
| -9.4 | 6vxx | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w4h | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | nsp16 - nsp10 |
| -9.4 | 6vxx | DB07945 | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid | GKBQRPKZHUFGOB-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB04872 | Osanetant | DZOJBGLFWINFBF-UMSFTDKQSA-N | spike glycoprotein |
| -9.4 | 6lxt | DB06634 | Casopitant | XGGTZCKQRWXCHW-WMTVXVAQSA-N | S2 unit |
| -9.4 | 6lxt | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | S2 unit |
| -9.4 | 6w4h | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | nsp16 - nsp10 |
| -9.4 | 6crv | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | PL pro |
| -9.4 | 6vxx | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07991 | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | APLJSSOXDWUNGV-GOSISDBHSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB15192 | ABT-288 | GNIRITULTPTAQW-KNQAVFIVSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB08407 | PLATENSIMYCIN | CSOMAHTTWTVBFL-OFBLZTNGSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB00253 | Medrysone | GZENKSODFLBBHQ-ILSZZQPISA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB01328 | Cefonicid | DYAIAHUQIPBDIP-AXAPSJFSSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB13088 | AZD-0424 | MVWATCATLSSVBH-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m71 | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB12052 | Icariin | TZJALUIVHRYQQB-XLRXWWTNSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | PL pro |
| -9.4 | 6m71 | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB07450 | (R)-minalrestat | BMHZAHGTGIZZCT-LJQANCHMSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB12085 | LCL-161 | UFPFGVNKHCLJJO-SSKFGXFMSA-N | 3CL pro |
| -9.4 | 6m3m | DB00246 | Ziprasidone | MVWVFYHBGMAFLY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m3m | DB15275 | GDC-0077 | SGEUNORSOZVTOL-CABZTGNLSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB03010 | Patupilone | QXRSDHAAWVKZLJ-PVYNADRNSA-N | spike glycoprotein |
| -9.4 | 6lzg | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.4 | 6m2n | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | 3CL pro |
| -9.4 | 6crv | DB08402 | 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | VNDRRWBKNSHALL-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB01138 | Sulfinpyrazone | MBGGBVCUIVRRBF-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6lzg | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.4 | 6m3m | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | 3CL pro |
| -9.4 | 6vxs | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB15269 | ALK-4290 | DWKNOLCXIFYNFV-HSZRJFAPSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB07410 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | BYVXAUZOTGITQZ-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6crv | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | PL pro |
| -9.4 | 7bv1 | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6lxt | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6w9c | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | PL pro |
| -9.4 | 6crv | DB07175 | N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide | CXQRKICWSCAUGW-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w4h | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6m3m | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB07252 | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | TZHCXOMEOHEZDX-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m2n | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | 3CL pro |
| -9.4 | 6m3m | DB00836 | Loperamide | RDOIQAHITMMDAJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m2n | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m3m | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB07113 | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE | KHZQOXQOUCGGGA-NRFANRHFSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB06581 | Bevirimat | YJEJKUQEXFSVCJ-WRFMNRASSA-N | spike glycoprotein |
| -9.4 | 6crv | DB01480 | Cyprenorphine | VSKIOMHXEUHYSI-KNLIIKEYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB15121 | AT-001 | YRGPAXAVTDMKDK-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6vxx | DB03501 | Galactose-uridine-5'-diphosphate | HSCJRCZFDFQWRP-ABVWGUQPSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB14054 | Asiatic acid | JXSVIVRDWWRQRT-UYDOISQJSA-N | PL pro |
| -9.4 | 6m3m | DB02668 | Je-2147, Ag1776, Kni-764 | CUFQBQOBLVLKRF-RZDMPUFOSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB08607 | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | GXPHKUHSUJUWKP-NTKDMRAZSA-N | 3CL pro |
| -9.4 | 6w9c | DB14037 | Madecassic acid | PRAUVHZJPXOEIF-AOLYGAPISA-N | PL pro |
| -9.4 | 6m3m | DB00307 | Bexarotene | NAVMQTYZDKMPEU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB07653 | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE | VXTCEUDVOCLEJG-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6vxx | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | spike glycoprotein |
| -9.4 | 6m2n | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | 3CL pro |
| -9.4 | 6m3m | DB00378 | Dydrogesterone | JGMOKGBVKVMRFX-HQZYFCCVSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB08822 | Azilsartan medoxomil | QJFSABGVXDWMIW-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m71 | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB15207 | Esaxerenone | NOSNHVJANRODGR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB01219 | Dantrolene | OZOMQRBLCMDCEG-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB11796 | Fostemsavir | SWMDAPWAQQTBOG-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m3m | DB04014 | Alsterpaullone | OLUKILHGKRVDCT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB15346 | GLPG-1205 | IRBAWVGZNJIROV-SFHVURJKSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB13072 | GDC-0349 | RGJOJUGRHPQXGF-INIZCTEOSA-N | 3CL pro |
| -9.4 | 6m2n | DB12743 | Z-160 | VCPMZDWBEWTGNW-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m2n | DB09003 | Clocapramine | QAZKXHSIKKNOHH-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 7bv1 | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w4h | DB13089 | Enoxolone | MPDGHEJMBKOTSU-YKLVYJNSSA-N | nsp16 - nsp10 |
| -9.4 | 6vxx | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB12085 | LCL-161 | UFPFGVNKHCLJJO-SSKFGXFMSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB12092 | Naftopidil | HRRBJVNMSRJFHQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB15046 | LY-2881835 | FHRWHNJJQGSCQC-LJAQVGFWSA-N | 3CL pro |
| -9.4 | 6m3m | DB01177 | Idarubicin | XDXDZDZNSLXDNA-TZNDIEGXSA-N | nucleocapsid protein |
| -9.4 | 6vxs | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6vxx | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB00776 | Oxcarbazepine | CTRLABGOLIVAIY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB05532 | BMS-488043 | DBPMWRYLTBNCCE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB06959 | (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine | BUCZDJYEOAQTHL-KEKNWZKVSA-N | ACE2 area for S-protein binding |
| -9.4 | 7bv1 | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w4b | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | nsp9 |
| -9.4 | 6vxs | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB14674 | Estramustine phosphate | ADFOJJHRTBFFOF-RBRWEJTLSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m2n | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m2n | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m3m | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB12744 | CGI-1842 | ZXBFYBLSJMEBEP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB01180 | Rescinnamine | SZLZWPPUNLXJEA-LAFLMMDJSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07453 | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | VFMMPHCGEFXGIP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB07855 | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | CWHMAWBXRCDOEB-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w4h | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | nsp16 - nsp10 |
| -9.4 | 6crv | DB01222 | Budesonide | VOVIALXJUBGFJZ-KWVAZRHASA-N | spike glycoprotein |
| -9.4 | 6vxx | DB12746 | AKN-028 | JLRIJKVMMZEKDF-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB06362 | Becatecarin | JSKFWUPVIZYJMR-UDOAKELVSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6w9c | DB07019 | N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1-7,11-]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE | QWDOKZPZLWNULU-MZNJEOGPSA-N | PL pro |
| -9.4 | 6vxs | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w9c | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | PL pro |
| -9.4 | 6m2n | DB15460 | AGG-523 | JWQMTWCFNZSLNR-DEOSSOPVSA-N | 3CL pro |
| -9.4 | 6crv | DB12043 | Sepetaprost | BKVUSNOUTQMSBE-XCMGCKIWSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | ribose phosphatase of NSP3 |
| -9.4 | 6vxx | DB07872 | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | IYGIXVNAMZPBDK-CQSZACIVSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6vxs | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w9c | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | PL pro |
| -9.4 | 6cs2 | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6crv | DB15055 | ABT-639 | AGPIHNZOZNKRGT-CYBMUJFWSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6vxx | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m3m | DB00637 | Astemizole | GXDALQBWZGODGZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | 3CL pro |
| -9.4 | 6crv | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB08899 | Enzalutamide | WXCXUHSOUPDCQV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w4h | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | nsp16 - nsp10 |
| -9.4 | 6vxs | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w4h | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6vxx | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB00377 | Palonosetron | CPZBLNMUGSZIPR-NVXWUHKLSA-N | spike glycoprotein |
| -9.4 | 6crv | DB06660 | Saredutant | PGKXDIMONUAMFR-AREMUKBSSA-N | spike glycoprotein |
| -9.4 | 6w9q | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.4 | 6vxx | DB05016 | Ataluren | OOUGLTULBSNHNF-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | 3CL pro |
| -9.4 | 6m3m | DB13682 | Cefpirome | DKOQGJHPHLTOJR-WHRDSVKCSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6crv | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB08546 | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | CETLUACQMGBMFH-ZALSBGIRSA-N | spike glycoprotein |
| -9.4 | 6crv | DB06693 | Mevastatin | AJLFOPYRIVGYMJ-INTXDZFKSA-N | spike glycoprotein |
| -9.4 | 6w9q | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.4 | 6m3m | DB03041 | UDP-alpha-D-glucuronic acid | HDYANYHVCAPMJV-LXQIFKJMSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6vxx | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB00624 | Testosterone | MUMGGOZAMZWBJJ-DYKIIFRCSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | PL pro |
| -9.4 | 6m2n | DB07967 | 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE | JJNKDTWKWYLERH-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m2n | DB07966 | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | NVMCVWOODOWOLT-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6vxs | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB15448 | Acumapimod | VGUSQKZDZHAAEE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m2n | DB12141 | Gilteritinib | GYQYAJJFPNQOOW-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6cs2 | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w9c | DB03383 | 5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide | YDCGVASFVACWKF-NRFANRHFSA-N | PL pro |
| -9.4 | 6m3m | DB14217 | Quinaprilat | FLSLEGPOVLMJMN-YSSFQJQWSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6vxx | DB08092 | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide | VMLSXFMXUNVCSK-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB04471 | 2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | FMWVCTJKLAVRPB-MUUNZHRXSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB07006 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE | AOGOZJCRIFBTTN-UHFFFAOYSA-N | PL pro |
| -9.4 | 6w4h | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6m2n | DB02331 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | YBULOUKTPCHXAL-DEOSSOPVSA-N | 3CL pro |
| -9.4 | 6vxs | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB07692 | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine | SHWNKRPMUBFWKE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB00590 | Doxazosin | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB11698 | Ipragliflozin | AHFWIQIYAXSLBA-RQXATKFSSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB15297 | Petesicatib | KXAAIORSMACJSI-AEFFLSMTSA-N | 3CL pro |
| -9.4 | 6cs2 | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB14856 | PF-05089771 | ZYSCOUXLBXGGIM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w4h | DB01873 | Epothilone D | XOZIUKBZLSUILX-GIQCAXHBSA-N | nsp16 - nsp10 |
| -9.4 | 6lxt | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6m3m | DB11703 | Acalabrutinib | WDENQIQQYWYTPO-IBGZPJMESA-N | nucleocapsid protein |
| -9.4 | 6vxs | DB03005 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | ISUOMOOYAOQQPZ-UHFFFAOYSA-O | ribose phosphatase of NSP3 |
| -9.4 | 6vxs | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6cs2 | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | ACE2 area for S-protein binding |
| -9.4 | 6crv | DB15317 | Posiphen | PBHFNBQPZCRWQP-AZUAARDMSA-N | spike glycoprotein |
| -9.4 | 6crv | DB00843 | Donepezil | ADEBPBSSDYVVLD-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB07053 | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | TWVYNPULGKGJOS-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6vxx | DB08339 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | ZIQFYVPVJZEOFS-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB06916 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE | LBCGUKCXRVUULK-QGZVFWFLSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB15029 | AZD-8186 | LMJFJIDLEAWOQJ-CQSZACIVSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB02021 | Fidarestat | WAAPEIZFCHNLKK-UFBFGSQYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB00304 | Desogestrel | RPLCPCMSCLEKRS-BPIQYHPVSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB07267 | 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine | JONFDFIXMPXTRH-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m2n | DB07031 | 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid | AANFHDFOMFRLLR-LJQANCHMSA-N | 3CL pro |
| -9.4 | 6crv | DB13600 | Deltamethrin | OWZREIFADZCYQD-NSHGMRRFSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w4h | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6vxs | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB09219 | Bisoxatin | BPKUDUSVDVLOPY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w4h | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | nsp16 - nsp10 |
| -9.4 | 6lxt | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | S2 unit |
| -9.4 | 6vxs | DB13931 | Netarsudil | OURRXQUGYQRVML-AREMUKBSSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6cs2 | DB07175 | N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide | CXQRKICWSCAUGW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6crv | DB07971 | 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE | FQQVTDIBUYSVHM-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m2n | DB15362 | LSZ-102 | SJXNPGGVGZXKKI-NYYWCZLTSA-N | 3CL pro |
| -9.4 | 6w9c | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m3m | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | nucleocapsid protein |
| -9.4 | 6vxs | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB07295 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID | IGOULVZYQKJJKC-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB08865 | Crizotinib | KTEIFNKAUNYNJU-GFCCVEGCSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB14876 | TAS-116 | NVVPMZUGELHVMH-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6crv | DB06620 | Aplindore | DYJIKHYBKVODAC-ZDUSSCGKSA-N | spike glycoprotein |
| -9.4 | 6crv | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB08538 | N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | HQPVGVSQPQVZLD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w4h | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6cs2 | DB01876 | Bis(5-Amidino-2-Benzimidazolyl)Methanone | VVVXDHROXQUONB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w9q | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | nsp9 RNA-replicase |
| -9.4 | 6crv | DB08003 | ISOTHIAZOLIDINONE ANALOG | UILYPHAKDBTKQV-UFYCRDLUSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | 3CL pro |
| -9.4 | 6m2n | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m3m | DB06876 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | YJWJKKXGAPWLGT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB07786 | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | SMFRBBHLVBWHGB-DJJJIMSYSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB08912 | Dabrafenib | BFSMGDJOXZAERB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6lxt | DB01669 | Virginiamycin M1 | DAIKHDNSXMZDCU-FQTGFAPKSA-N | S2 unit |
| -9.4 | 6crv | DB00436 | Bendroflumethiazide | HDWIHXWEUNVBIY-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB08304 | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | QZBQVXXESPXFPZ-QGZVFWFLSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB00845 | Clofazimine | WDQPAMHFFCXSNU-UHFFFAOYSA-N | PL pro |
| -9.4 | 6w9c | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | PL pro |
| -9.4 | 6m71 | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m71 | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 7bv1 | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6vxx | DB00693 | Fluorescein | GNBHRKFJIUUOQI-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB02621 | Latrunculin A | DDVBPZROPPMBLW-IZGXTMSKSA-N | PL pro |
| -9.4 | 6w9c | DB06248 | Amelubant | SBVYURPQULDJTI-UHFFFAOYSA-N | PL pro |
| -9.4 | 6w9c | DB06246 | Exisulind | MVGSNCBCUWPVDA-MFOYZWKCSA-N | PL pro |
| -9.4 | 6vxs | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB12553 | Fluocinolone | UUOUOERPONYGOS-CLCRDYEYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB06176 | Romidepsin | OHRURASPPZQGQM-GCCNXGTGSA-N | 3CL pro |
| -9.4 | 6vxs | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6cs2 | DB07229 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE | MINVOLKUPZPDNX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6crv | DB12483 | Copanlisib | PZBCKZWLPGJMAO-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB00224 | Indinavir | CBVCZFGXHXORBI-PXQQMZJSSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m2n | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6w4h | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6m2n | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | 3CL pro |
| -9.4 | 6crv | DB00490 | Buspirone | QWCRAEMEVRGPNT-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9q | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | nsp9 RNA-replicase |
| -9.4 | 6m3m | DB00957 | Norgestimate | KIQQMECNKUGGKA-NMYWJIRASA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB01708 | Prasterone | FMGSKLZLMKYGDP-USOAJAOKSA-N | nucleocapsid protein |
| -9.4 | 6lxt | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | S2 unit |
| -9.4 | 6vxx | DB06945 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide | FOSWRYKPHVPIDJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB08058 | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one | HGEPGGJUGUMFHT-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | spike glycoprotein |
| -9.4 | 6lxt | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | S2 unit |
| -9.4 | 6m3m | DB08746 | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | ZOSSOFIFNGGDKG-GIJQJNRQSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB13941 | Piperaquine | UCRHFBCYFMIWHC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB12966 | Falnidamol | FTFRZXFNZVCRSK-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB04240 | (1S)-1-C-{(2R)-6-[(2R)-2-Butanyl]-5,10-dihydroxy-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl}-5-deoxy-1-O-methyl-D-xylulose | XGORHSPGULYMCV-HHYQQTLHSA-N | nucleocapsid protein |
| -9.4 | 6w9q | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | nsp9 RNA-replicase |
| -9.4 | 6m3m | DB04238 | N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid | GNANSBQAIRJZPA-XZOQPEGZSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB08304 | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | QZBQVXXESPXFPZ-QGZVFWFLSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | PL pro |
| -9.4 | 7bv1 | DB12052 | Icariin | TZJALUIVHRYQQB-XLRXWWTNSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB04244 | (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide | YCDHZDINQZLSRR-DNQXCXABSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB06362 | Becatecarin | JSKFWUPVIZYJMR-UDOAKELVSA-N | PL pro |
| -9.4 | 6vxx | DB00834 | Mifepristone | VKHAHZOOUSRJNA-GCNJZUOMSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6w9c | DB06367 | Relacatib | BWYBBMQLUKXECQ-GIVPXCGWSA-N | PL pro |
| -9.4 | 6crv | DB08361 | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide | NZNTWOVDIXCHHS-LSDHHAIUSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB15192 | ABT-288 | GNIRITULTPTAQW-KNQAVFIVSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB11656 | Rebamipide | ALLWOAVDORUJLA-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6crv | DB06780 | Desoxycorticosterone acetate | VPGRYOFKCNULNK-ACXQXYJUSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB04258 | Seocalcitol | LVLLALCJVJNGQQ-SEODYNFXSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | 3CL pro |
| -9.4 | 6cs2 | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB06429 | Talnetant | BIAVGWDGIJKWRM-UHFFFAOYSA-N | PL pro |
| -9.4 | 6w9c | DB02703 | Fusidic acid | IECPWNUMDGFDKC-MZJAQBGESA-N | PL pro |
| -9.4 | 6crv | DB00554 | Piroxicam | QYSPLQLAKJAUJT-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB08542 | 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione | YUHVBHDSVLKFNI-NJSLBKSFSA-N | spike glycoprotein |
| -9.4 | 6crv | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB09295 | Talniflumate | ANMLJLFWUCQGKZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m2n | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | 3CL pro |
| -9.4 | 6crv | DB00635 | Prednisone | XOFYZVNMUHMLCC-ZPOLXVRWSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB06743 | Ginkgolide A | FPUXKXIZEIDQKW-VKMVSBOZSA-N | PL pro |
| -9.4 | 6crv | DB12229 | Cerlapirdine | NXQGEDVQXVTCDA-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB00973 | Ezetimibe | OLNTVTPDXPETLC-XPWALMASSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB06745 | ginkgolide-C | AMOGMTLMADGEOQ-DTDWCABLSA-N | PL pro |
| -9.4 | 6m2n | DB13491 | Fluperolone | SLVCCRYLKTYUQP-DVTGEIKXSA-N | 3CL pro |
| -9.4 | 6m2n | DB07982 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol | PVTKDXZNSUHUMO-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 7bv1 | DB09199 | Netoglitazone | PKWDZWYVIHVNKS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w9q | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.4 | 6m71 | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB14542 | Hydrocortisone phosphate | BGSOJVFOEQLVMH-VWUMJDOOSA-N | nucleocapsid protein |
| -9.4 | 6vxs | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w9c | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | PL pro |
| -9.4 | 6lxt | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | S2 unit |
| -9.4 | 7bv1 | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6cs2 | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w4h | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | nsp16 - nsp10 |
| -9.4 | 6crv | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m71 | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6cs2 | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m2n | DB09274 | Artesunate | FIHJKUPKCHIPAT-AHIGJZGOSA-N | 3CL pro |
| -9.4 | 6m2n | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6crv | DB09038 | Empagliflozin | OBWASQILIWPZMG-QZMOQZSNSA-N | spike glycoprotein |
| -9.4 | 6crv | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB12388 | Evocalcet | RZNUIYPHQFXBAN-XLIONFOSSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB08828 | Vismodegib | BPQMGSKTAYIVFO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB07014 | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole | TUTZKAQTSPMEBI-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB03723 | 2'-Deoxy-Thymidine-Beta-L-Rhamnose | ZOSQFDVXNQFKBY-CGAXJHMRSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB13551 | Cinchophen | YTRMTPPVNRALON-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB06920 | Eribaxaban | QQBKAVAGLMGMHI-WIYYLYMNSA-N | 3CL pro |
| -9.4 | 6vxs | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6vxx | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | PL pro |
| -9.4 | 7bv1 | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB01820 | Compound 12, N-Acetyl-4-[(Carboxycarbonyl)(2-Carboxyphenyl)Amino]-N-Pentyl-1-Napthylalaniamide | UESXELNYBIOROE-QHCPKHFHSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB06717 | Fosaprepitant | BARDROPHSZEBKC-OITMNORJSA-N | PL pro |
| -9.4 | 6w9c | DB06718 | Stanozolol | LKAJKIOFIWVMDJ-IYRCEVNGSA-N | PL pro |
| -9.4 | 6m2n | DB11921 | Deflazacort | FBHSPRKOSMHSIF-GRMWVWQJSA-N | 3CL pro |
| -9.4 | 6m3m | DB13555 | Prajmaline | UAUHEPXILIZYCU-ALHOSYKFSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB03714 | 4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid | OWWCIKSGGKYNHT-ZDUSSCGKSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB11440 | Norgestomet | IWSXBCZCPVUWHT-VIFKTUCRSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB07967 | 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE | JJNKDTWKWYLERH-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB07743 | S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE | VNGWUVBXUIDQTK-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9q | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.4 | 7bv1 | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m2n | DB14661 | Loperamide oxide | KXVSBTJVTUVNPM-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m2n | DB09231 | Benidipine | QZVNQOLPLYWLHQ-ZEQKJWHPSA-N | 3CL pro |
| -9.4 | 6w9c | DB02411 | 2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2 | HOUHLOFMBSYNBO-KKUQBAQOSA-N | PL pro |
| -9.4 | 7bv1 | DB06677 | Clazosentan | LFWCJABOXHSRGC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB00622 | Nicardipine | ZBBHBTPTTSWHBA-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB15145 | Ziresovir | GAAICKUTDBZCMT-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB06077 | Lumateperone | HOIIHACBCFLJET-SFTDATJTSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB14635 | Curcumin sulfate | NEJVQQBBTRFOHB-FCXRPNKRSA-N | spike glycoprotein |
| -9.4 | 6lxt | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | S2 unit |
| -9.4 | 6crv | DB03903 | Tmr | KGFLZYXDJDOIEE-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB01691 | Indole Naphthyridinone | VAZMNDXVXVUKFY-JXMROGBWSA-N | nucleocapsid protein |
| -9.4 | 6lxt | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | S2 unit |
| -9.4 | 6vxs | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6vxs | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB07393 | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE | GSKNNHAAFLPYHG-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB11793 | Niraparib | PCHKPVIQAHNQLW-CQSZACIVSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | spike glycoprotein |
| -9.4 | 6m2n | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m3m | DB06983 | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol | RBLKWWBHDUBPFN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB15191 | MAX-40279 | AVIOBQFPAGEICQ-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m2n | DB03126 | Mant-Adp | QPKUEBLEGWBRHC-BFHYXJOUSA-N | 3CL pro |
| -9.4 | 6lxt | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | S2 unit |
| -9.4 | 7bv1 | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6vxs | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w9c | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | PL pro |
| -9.4 | 6w9c | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m3m | DB13185 | Oxabolone cipionate | KHKDIUPVDIEHAH-KXLSUQFWSA-N | nucleocapsid protein |
| -9.4 | 6vxs | DB11778 | Danusertib | XKFTZKGMDDZMJI-HSZRJFAPSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | nucleocapsid protein |
| -9.4 | 6lxt | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6vxx | DB07629 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-DLBZAZTESA-N | spike glycoprotein |
| -9.4 | 6m3m | DB06992 | (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone | SIDDLTBLAQYZIZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB07741 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE | VPNYXOTTXAXSIH-SXYSDOLCSA-N | PL pro |
| -9.4 | 6crv | DB02547 | Guanosine-5'-Diphosphate-Rhamnose | LQEBEXMHBLQMDB-GDJBGNAASA-N | spike glycoprotein |
| -9.4 | 6w9c | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | PL pro |
| -9.4 | 6w9c | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | PL pro |
| -9.4 | 6m2n | DB01337 | Pancuronium | GVEAYVLWDAFXET-XGHATYIMSA-N | 3CL pro |
| -9.4 | 6vxs | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB14570 | Hydroxyprogesterone | DBPWSSGDRRHUNT-CEGNMAFCSA-N | nucleocapsid protein |
| -9.4 | 6cs2 | DB07141 | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | QVXYJVHNRPNRJL-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB13097 | 1alpha-Hydroxyvitamin D5 | NWFOBODUYTUMNC-VPSCEVSQSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | PL pro |
| -9.4 | 6crv | DB00921 | Buprenorphine | RMRJXGBAOAMLHD-IHFGGWKQSA-N | spike glycoprotein |
| -9.4 | 6crv | DB06506 | Repinotan | YGYBFMRFXNDIPO-QGZVFWFLSA-N | spike glycoprotein |
| -9.4 | 6crv | DB08970 | Fluprednidene | YVHXHNGGPURVOS-SBTDHBFYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB13101 | 4SC-202 | PRXXYMVLYKJITB-IZZDOVSWSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB11487 | Dexamethasone isonicotinate | BQTXJHAJMDGOFI-NJLPOHDGSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | OWXORKPNCHJYOF-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB01180 | Rescinnamine | SZLZWPPUNLXJEA-LAFLMMDJSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB01337 | Pancuronium | GVEAYVLWDAFXET-XGHATYIMSA-N | PL pro |
| -9.4 | 6m71 | DB15287 | Elismetrep | CWEFDWIKLABKBX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w9q | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.4 | 6w9c | DB00997 | Doxorubicin | AOJJSUZBOXZQNB-TZSSRYMLSA-N | PL pro |
| -9.4 | 6w9c | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m3m | DB11800 | Tivozanib | SPMVMDHWKHCIDT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB06248 | Amelubant | SBVYURPQULDJTI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB12666 | Emapunil | NBMBIEOUVBHEBM-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB07204 | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE | DQIXTEDFNFZMCM-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m2n | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6lzg | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.4 | 6crv | DB15307 | Atabecestat | VLLFGVHGKLDDLW-SFHVURJKSA-N | spike glycoprotein |
| -9.4 | 6crv | DB11795 | GSK-2636771 | XTKLTGBKIDQGQL-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w4h | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | nsp16 - nsp10 |
| -9.4 | 7bv1 | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB07685 | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | NMAZGYDYIYLSLJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m71 | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m2n | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | 3CL pro |
| -9.4 | 6m71 | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6vxx | DB04362 | Adenosine Diphosphate 5-(Beta-Ethyl)-4-Methyl-Thiazole-2-Carboxylic Acid | VGXBGQACJQRWLV-LKGUXBDMSA-K | spike glycoprotein |
| -9.4 | 6vxx | DB14029 | Furafylline | HMZQULPVMKITSP-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB13022 | LY-2874455 | GKJCVYLDJWTWQU-CXLRFSCWSA-N | spike glycoprotein |
| -9.4 | 6crv | DB08112 | N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID | IRJUSGUHNFMVCK-OAQYLSRUSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB04348 | Taurocholic Acid | WBWWGRHZICKQGZ-HZAMXZRMSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB07021 | (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine | SOSYXEPELJIJHZ-RNCFNFMXSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB02703 | Fusidic acid | IECPWNUMDGFDKC-MZJAQBGESA-N | nucleocapsid protein |
| -9.4 | 6crv | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | PL pro |
| -9.4 | 7bv1 | DB00266 | Dicoumarol | DOBMPNYZJYQDGZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6crv | DB08108 | N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID | PUHRQSFXADUGJW-OAQYLSRUSA-N | spike glycoprotein |
| -9.4 | 6lxt | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | S2 unit |
| -9.4 | 6vxx | DB14664 | Difluocortolone pivalate | UWGRWFCLGQWKPR-GSTUPEFVSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m2n | DB11487 | Dexamethasone isonicotinate | BQTXJHAJMDGOFI-NJLPOHDGSA-N | 3CL pro |
| -9.4 | 6m3m | DB01222 | Budesonide | VOVIALXJUBGFJZ-KWVAZRHASA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | spike glycoprotein |
| -9.4 | 6crv | DB02505 | N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl) | JJVQUUYZGJWBPW-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB15192 | ABT-288 | GNIRITULTPTAQW-KNQAVFIVSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB00203 | Sildenafil | BNRNXUUZRGQAQC-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB01540 | 17alpha-methyl-4-hydroxynandrolone | CLNUZOCYKSHICX-FAHHUNKHSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB15031 | Nemorexant | NBGABHGMJVIVBW-QHCPKHFHSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | PL pro |
| -9.4 | 6vxx | DB00275 | Olmesartan | VTRAEEWXHOVJFV-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB01212 | Ceftriaxone | VAAUVRVFOQPIGI-SPQHTLEESA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | PL pro |
| -9.4 | 6vxx | DB06995 | N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide | USBSTVPJNQLYEM-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | 3CL pro |
| -9.4 | 6m3m | DB14035 | Englitazone | MVDXXGIBARMXSA-PYUWXLGESA-N | nucleocapsid protein |
| -9.4 | 6crv | DB04097 | Uridine-5'-Diphosphate-4-Deoxy-4-Fluoro-Alpha-D-Galactose | OAPPZHVTNHJVAL-JZMIEXBBSA-N | spike glycoprotein |
| -9.4 | 6lxt | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | S2 unit |
| -9.4 | 6w9c | DB15238 | Olinciguat | YWQFJNWMWZMXRW-HXUWFJFHSA-N | PL pro |
| -9.4 | 6vxx | DB11795 | GSK-2636771 | XTKLTGBKIDQGQL-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -9.4 | 6m3m | DB14568 | Ivosidenib | WIJZXSAJMHAVGX-DHLKQENFSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB08341 | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide | CAUFYHKGKDJMQG-HZPDHXFCSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB03471 | 6-Phenyl-4(R)-(7-Phenyl-Heptanoylamino)-Hexanoic Acid | SMNHQYPORNSAQH-HSZRJFAPSA-N | spike glycoprotein |
| -9.4 | 6crv | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB08497 | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | NKBDSMREMMRFSI-INIZCTEOSA-N | nucleocapsid protein |
| -9.4 | 7bv1 | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6cs2 | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w4h | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6crv | DB12743 | Z-160 | VCPMZDWBEWTGNW-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | 3CL pro |
| -9.4 | 6w4h | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6crv | DB11763 | Momelotinib | ZVHNDZWQTBEVRY-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6crv | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | YBKLJTXDSBEVRV-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB13080 | Roluperidone | RNRYULFRLCBRQS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | 3CL pro |
| -9.4 | 6w9c | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m71 | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB02790 | Phenyl-Uridine-5'-Diphosphate | ZHUWBKDWWGKIEN-FMKGYKFTSA-N | nucleocapsid protein |
| -9.4 | 6m2n | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 7bv1 | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | nsp12-nsp7-nsp8 |
| -9.4 | 6vxs | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6crv | DB07265 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID | JDARUOOLJCFUOY-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6w9c | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m2n | DB11814 | PF-03882845 | XNULRSOGWPFPBL-REWPJTCUSA-N | 3CL pro |
| -9.4 | 6vxx | DB12858 | LY-377604 | RBSGUQYXRDKPAE-QFIPXVFZSA-N | spike glycoprotein |
| -9.4 | 6crv | DB04038 | Ergosterol | DNVPQKQSNYMLRS-APGDWVJJSA-N | spike glycoprotein |
| -9.4 | 6vxx | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | spike glycoprotein |
| -9.4 | 6vxs | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w4h | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.4 | 6vxs | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w9c | DB12480 | Betulinic Acid | QGJZLNKBHJESQX-FZFNOLFKSA-N | PL pro |
| -9.4 | 6crv | DB12350 | Rostafuroxin | AEAPORIZZWBIEX-DTBDINHYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB06401 | Bazedoxifene | UCJGJABZCDBEDK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6vxx | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 7bv1 | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w9c | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | PL pro |
| -9.4 | 6m2n | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m2n | DB06721 | Gimatecan | UIVFUQKYVFCEKJ-OPTOVBNMSA-N | 3CL pro |
| -9.4 | 6w9c | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | PL pro |
| -9.4 | 7bv1 | DB02732 | Nicotinamide Adenine Dinucleotide Acetone Adduct | SGHBFOOIAAJJMI-YDKVLQLQSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w4h | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | nsp16 - nsp10 |
| -9.4 | 6w9c | DB01514 | Furazabol | RGLLOUBXMOGLDQ-IVEVATEUSA-N | PL pro |
| -9.4 | 6w9c | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | PL pro |
| -9.4 | 6crv | DB04014 | Alsterpaullone | OLUKILHGKRVDCT-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB14029 | Furafylline | HMZQULPVMKITSP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 6m3m | DB03363 | 3-Acetylpyridine Adenine Dinucleotide | KPVQNXLUPNWQHM-RBEMOOQDSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB03368 | 5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione | RTBMLCLTYAPKIF-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6m2n | DB06718 | Stanozolol | LKAJKIOFIWVMDJ-IYRCEVNGSA-N | 3CL pro |
| -9.4 | 6vxx | DB00319 | Piperacillin | IVBHGBMCVLDMKU-GXNBUGAJSA-N | spike glycoprotein |
| -9.4 | 6w9q | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | nsp9 RNA-replicase |
| -9.4 | 7bv1 | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m71 | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m3m | DB13126 | BMS-986115 | SRJNRAQUSAVENA-GSHUGGBRSA-N | nucleocapsid protein |
| -9.4 | 6w9c | DB04696 | 4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN | GFGZCXHXQCQRFP-UHFFFAOYSA-N | PL pro |
| -9.4 | 6m3m | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | nucleocapsid protein |
| -9.4 | 6w4h | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | nsp16 - nsp10 |
| -9.4 | 6m71 | DB04882 | Edotecarin | QMVPQBFHUJZJCS-NTKFZFFISA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m71 | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6w9c | DB04623 | 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | CGBRFCVAMLJVEA-ZGURCIGKSA-N | PL pro |
| -9.4 | 6w4h | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | nsp16 - nsp10 |
| -9.4 | 6crv | DB00901 | Bitolterol | FZGVEKPRDOIXJY-UHFFFAOYSA-N | spike glycoprotein |
| -9.4 | 6lzg | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.4 | 6crv | DB03220 | FR233623 | OODDZQQDDOVCFD-SCLBCKFNSA-N | spike glycoprotein |
| -9.4 | 6m3m | DB13240 | Cymarin | XQCGNURMLWFQJR-ZNDDOCHDSA-N | nucleocapsid protein |
| -9.4 | 6crv | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | spike glycoprotein |
| -9.4 | 6crv | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB05611 | Apilimod | HSKAZIJJKRAJAV-KOEQRZSOSA-N | ACE2 area for S-protein binding |
| -9.4 | 6w4h | DB08407 | PLATENSIMYCIN | CSOMAHTTWTVBFL-OFBLZTNGSA-N | nsp16 - nsp10 |
| -9.4 | 6vxs | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6w9c | DB07404 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | YXQQNSYZOQHKHD-UHFFFAOYSA-N | PL pro |
| -9.4 | 6vxx | DB04471 | 2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | FMWVCTJKLAVRPB-MUUNZHRXSA-N | spike glycoprotein |
| -9.4 | 6cs2 | DB11263 | Polydatin | HSTZMXCBWJGKHG-CUYWLFDKSA-N | ACE2 area for S-protein binding |
| -9.4 | 6vxs | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.4 | 6m3m | DB04115 | Berberine | YBHILYKTIRIUTE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.4 | 7bv1 | DB12380 | GDC-0152 | WZRFLSDVFPIXOV-LRQRDZAKSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m2n | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | 3CL pro |
| -9.4 | 6m2n | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | 3CL pro |
| -9.4 | 6m3m | DB04573 | Estriol | PROQIPRRNZUXQM-ZXXIGWHRSA-N | nucleocapsid protein |
| -9.4 | 7bv1 | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 6m2n | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | 3CL pro |
| -9.4 | 7bv1 | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.4 | 7bv1 | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxs | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB14902 | JHU-75528 C-11 | MCNQUWLLXZZZAC-BJUDXGSMSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07403 | 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE | DTDZLJHKVNTQGZ-GOSISDBHSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB07404 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | YXQQNSYZOQHKHD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB07133 | D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide | CHKWABXWPATIIG-UXHICEINSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxs | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6w4h | DB12563 | MK-0686 | WZZIQHIQMWJNLU-LLVKDONJSA-N | nsp16 - nsp10 |
| -9.3 | 6w4h | DB07141 | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | QVXYJVHNRPNRJL-HNNXBMFYSA-N | nsp16 - nsp10 |
| -9.3 | 6m2n | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | 3CL pro |
| -9.3 | 6lxt | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | S2 unit |
| -9.3 | 6m2n | DB12764 | ABC-294640 | CAOTVXGYTWCKQE-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB13865 | Dehydroemetine | XXLZPUYGHQWHRN-RPBOFIJWSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07043 | 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide | CKLCIJCZOIDJQU-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB01564 | Calusterone | IVFYLRMMHVYGJH-PVPPCFLZSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB07847 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE | ICLOZQFWTRAYPX-LIRRHRJNSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07404 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | YXQQNSYZOQHKHD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m2n | DB02049 | 2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide | QOPFTBAEAJQKSY-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB06597 | Estradiol sulfamate | YXYXCSOJKUAPJI-ZBRFXRBCSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB05414 | Pipendoxifene | JICOGKJOQXTAIP-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxs | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB08860 | Pitavastatin | VGYFMXBACGZSIL-MCBHFWOFSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | nsp16 - nsp10 |
| -9.3 | 6w9q | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.3 | 6cs2 | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | nucleocapsid protein |
| -9.3 | 6m71 | DB01336 | Metocurine | JFXBEKISTKFVAB-AJQTZOPKSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6lxt | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | S2 unit |
| -9.3 | 6cs2 | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB12306 | Cipargamin | CKLPLPZSUQEDRT-WPCRTTGESA-N | spike glycoprotein |
| -9.3 | 6vxs | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6m3m | DB01198 | Zopiclone | GBBSUAFBMRNDJC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB06174 | Noscapine | AKNNEGZIBPJZJG-MSOLQXFVSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB08481 | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE | MXAPQGDBWFYKKX-ZROIWOOFSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | 3CL pro |
| -9.3 | 6vxs | DB06809 | Plerixafor | YIQPUIGJQJDJOS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6cs2 | DB06833 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE | MMIJMYOYKAKQPN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB12937 | Quercetin-3'-O-phosphate | UWJBYNLLMAPJMM-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB07519 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | VDFBMQAUECXNKR-OAQYLSRUSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB06144 | Sertindole | GZKLJWGUPQBVJQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB01067 | Glipizide | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m71 | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxx | DB03723 | 2'-Deoxy-Thymidine-Beta-L-Rhamnose | ZOSQFDVXNQFKBY-CGAXJHMRSA-N | spike glycoprotein |
| -9.3 | 6m71 | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB13936 | JNJ-28330835 | RYBKPGYFXRNMMU-LBPRGKRZSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxs | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxs | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxs | DB06635 | Otamixaban | PFGVNLZDWRZPJW-OPAMFIHVSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB07546 | [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid | BBYRUZKRFAIQSR-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB01501 | Difenoxin | UFIVBRCCIRTJTN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6crv | DB01513 | 17Alpha-methyl-3beta,17beta-dihydroxy-5alpha-androstane | QGKQXZFZOIQFBI-UYEYMFBJSA-N | spike glycoprotein |
| -9.3 | 6crv | DB15212 | Pemafibrate | ZHKNLJLMDFQVHJ-RUZDIDTESA-N | spike glycoprotein |
| -9.3 | 6w9c | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | PL pro |
| -9.3 | 6vxx | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxs | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6lxt | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6crv | DB12114 | Poziotinib | LPFWVDIFUFFKJU-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB05239 | Cobimetinib | BSMCAPRUBJMWDF-KRWDZBQOSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB12302 | CP-724714 | LLVZBTWPGQVVLW-SNAWJCMRSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB08058 | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one | HGEPGGJUGUMFHT-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB12194 | Atamestane | PEPMWUSGRKINHX-TXTPUJOMSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB13793 | Vinburnine | WYJAPUKIYAZSEM-MOPGFXCFSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB07698 | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine | JDNMRPIWJIDDAY-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6crv | DB07765 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | UKCFUFHREWUXJJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m2n | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | 3CL pro |
| -9.3 | 6w9q | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.3 | 6m2n | DB11845 | Lucitanib | CUDVHEFYRIWYQD-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6lzg | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6vxx | DB07519 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | VDFBMQAUECXNKR-OAQYLSRUSA-N | spike glycoprotein |
| -9.3 | 6crv | DB08990 | Eprazinone | BSHWLCACYCVCJE-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB02547 | Guanosine-5'-Diphosphate-Rhamnose | LQEBEXMHBLQMDB-GDJBGNAASA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB02196 | Uridine-Diphosphate-N-Acetylgalactosamine | LFTYTUAZOPRMMI-NESSUJCYSA-N | 3CL pro |
| -9.3 | 6w9c | DB12774 | AZD-8055 | KVLFRAWTRWDEDF-IRXDYDNUSA-N | PL pro |
| -9.3 | 6m3m | DB13631 | Methoserpidine | ULBNWNUHGJLQHO-VKMIBBQISA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB12494 | SGI-1776 | MHXGEROHKGDZGO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | PL pro |
| -9.3 | 6vxx | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB06267 | Udenafil | IYFNEFQTYQPVOC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB02338 | Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate | ACFIXJIJDZMPPO-NNYOXOHSSA-N | 3CL pro |
| -9.3 | 6m3m | DB14644 | Methylprednisolone hemisuccinate | IMBXEJJVJRTNOW-XYMSELFBSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB06401 | Bazedoxifene | UCJGJABZCDBEDK-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | S2 unit |
| -9.3 | 7bv1 | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m71 | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB14641 | Estriol tripropionate | ONMZMZJEZHMWQL-REUUDLSRSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB05351 | Dexlansoprazole | MJIHNNLFOKEZEW-RUZDIDTESA-N | spike glycoprotein |
| -9.3 | 6m3m | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | 3CL pro |
| -9.3 | 6m3m | DB12447 | Nadifloxacin | JYJTVFIEFKZWCJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB07064 | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE | HPVCRUIDFODATB-LJQANCHMSA-N | nsp16 - nsp10 |
| -9.3 | 6crv | DB12120 | Avoralstat | TUWMKPVJGGWGNL-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB11910 | MK-0249 | DDDZBLNULGDPGA-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB13667 | Cefozopran | QDUIJCOKQCCXQY-WHJQOFBOSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 7bv1 | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m2n | DB13002 | HKI-357 | NERXPXBELDBEPZ-RMKNXTFCSA-N | 3CL pro |
| -9.3 | 6w4h | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | nsp16 - nsp10 |
| -9.3 | 6lzg | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6cs2 | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6w4h | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB06268 | Sitaxentan | PHWXUGHIIBDVKD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB06543 | Astaxanthin | MQZIGYBFDRPAKN-UWFIBFSHSA-N | nsp16 - nsp10 |
| -9.3 | 6m2n | DB13506 | Carfecillin | NZDASSHFKWDBBU-KVMCETHSSA-N | 3CL pro |
| -9.3 | 6m3m | DB07434 | HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE | TZWQPWGUQCSKDW-GUYCJALGSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m71 | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB00396 | Progesterone | RJKFOVLPORLFTN-LEKSSAKUSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | S2 unit |
| -9.3 | 6w4h | DB12260 | Radiprodil | GKGRZLGAQZPEHO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB06311 | Darapladib | WDPFJWLDPVQCAJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB12461 | GLPG-0492 | VAJGULUVTFDTAS-GOSISDBHSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB12548 | Sparsentan | WRFHGDPIDHPWIQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6lxt | DB12760 | GW-493838 | ZQYJPMPXQLNTPQ-QCUYGVNKSA-N | S2 unit |
| -9.3 | 6m2n | DB01459 | Bezitramide | FLKWNFFCSSJANB-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m2n | DB13422 | Nicofuranose | FUWFSXZKBMCSKF-ZASNTINBSA-N | 3CL pro |
| -9.3 | 6w4h | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6lxt | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6vxs | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6w4h | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | nsp16 - nsp10 |
| -9.3 | 6m71 | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxs | DB13101 | 4SC-202 | PRXXYMVLYKJITB-IZZDOVSWSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB08012 | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | KCHIOGFOPPOUJC-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB07127 | {4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID | SXDBFKLPNPUPRI-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB01474 | 17alpha-methyl-3beta,17beta-dihydroxyandrost-4-ene | BNUOCVTVOYWNJC-DTMQFJJTSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB12567 | Camicinal | RZKDEGZIFSJVNA-IBGZPJMESA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6crv | DB14646 | Prednisone acetate | MOVRKLZUVNCBIP-RFZYENFJSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB07063 | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | KYHVTMFADJNSGS-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB05830 | Trestolone | YSGQGNQWBLYHPE-CFUSNLFHSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB14885 | PF-05180999 | CLGCHUKGBICQTE-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m71 | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m2n | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | 3CL pro |
| -9.3 | 6vxx | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | spike glycoprotein |
| -9.3 | 6crv | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6crv | DB06190 | Solabegron | LLDXOPKUNJTIRF-QFIPXVFZSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB06945 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide | FOSWRYKPHVPIDJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB08975 | Florantyrone | QOBAOSCOLAGPKI-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB03035 | 1,8-Di-Hydroxy-4-Nitro-Anthraquinone | RIYCICFDXLNQPV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6vxx | DB08011 | (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime | DXIHOIDYHQSQKJ-HMMYKYKNSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB05992 | Plinabulin | UNRCMCRRFYFGFX-TYPNBTCFSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | nsp16 - nsp10 |
| -9.3 | 6vxx | DB06455 | Meclinertant | DYLJVOXRWLXDIG-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxx | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | spike glycoprotein |
| -9.3 | 6m71 | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6cs2 | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB08096 | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM | ZWKOUFZHPNIQSH-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB15358 | JNJ-54175446 | CWFVVQFVGMFTBD-SECBINFHSA-N | PL pro |
| -9.3 | 6m2n | DB13060 | CEP-37440 | BCSHRERPHLTPEE-NRFANRHFSA-N | 3CL pro |
| -9.3 | 6crv | DB06518 | R-1487 | KKKRKRMVJRHDMG-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB12085 | LCL-161 | UFPFGVNKHCLJJO-SSKFGXFMSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | PL pro |
| -9.3 | 6cs2 | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxx | DB11778 | Danusertib | XKFTZKGMDDZMJI-HSZRJFAPSA-N | spike glycoprotein |
| -9.3 | 6crv | DB06228 | Rivaroxaban | KGFYHTZWPPHNLQ-AWEZNQCLSA-N | spike glycoprotein |
| -9.3 | 6crv | DB14810 | AZD-1656 | FJEJHJINOKKDCW-INIZCTEOSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB11759 | Pevonedistat | MPUQHZXIXSTTDU-QXGSTGNESA-N | spike glycoprotein |
| -9.3 | 6crv | DB12024 | PF-04418948 | LWJGMYMNSNVCEM-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB06578 | Tonabersat | XLIIRNOPGJTBJD-ROUUACIJSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB07031 | 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid | AANFHDFOMFRLLR-LJQANCHMSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB08513 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | PAIQRYUOBBCBSE-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB06077 | Lumateperone | HOIIHACBCFLJET-SFTDATJTSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB13386 | Epimestrol | UHQGCIIQUZBJAE-RRQVMCLOSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB13062 | ME-344 | QVCAATSEPLQVBX-FPOVZHCZSA-N | 3CL pro |
| -9.3 | 6m3m | DB15393 | Telatinib | QFCXANHHBCGMAS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB14934 | GDC-0927 | KJAAPZIFCQQQKX-NDEPHWFRSA-N | PL pro |
| -9.3 | 6w9c | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | PL pro |
| -9.3 | 6w9c | DB14982 | Miransertib | HNFMVVHMKGFCMB-UHFFFAOYSA-N | PL pro |
| -9.3 | 6lxt | DB09183 | Dasabuvir | NBRBXGKOEOGLOI-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6lxt | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | S2 unit |
| -9.3 | 6crv | DB06134 | SNS-314 | FAYAUAZLLLJJGH-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | 3CL pro |
| -9.3 | 6crv | DB14542 | Hydrocortisone phosphate | BGSOJVFOEQLVMH-VWUMJDOOSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB06972 | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | TZCXQSNBTXDAJG-QFIPXVFZSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB07991 | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | APLJSSOXDWUNGV-GOSISDBHSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB00834 | Mifepristone | VKHAHZOOUSRJNA-GCNJZUOMSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6lxt | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6crv | DB00844 | Nalbuphine | NETZHAKZCGBWSS-CEDHKZHLSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB14625 | Meprednisone acetate | RZAMUHXEOMZXET-ABQXZQTJSA-N | 3CL pro |
| -9.3 | 6m3m | DB06919 | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide | CJHLRGCXPGIPCB-MOPGFXCFSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB00769 | Hydrocortamate | FWFVLWGEFDIZMJ-FOMYWIRZSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB04861 | Nebivolol | KOHIRBRYDXPAMZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07091 | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide | IWPMQJKXKKKSEY-SFHVURJKSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB07875 | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide | ARAVOODWJJJNBY-IRXDYDNUSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB06921 | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID | FNZHLCNFXRRIIC-RBUKOAKNSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB14982 | Miransertib | HNFMVVHMKGFCMB-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6crv | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07162 | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide | KFJCXIOVAGJCKB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | PL pro |
| -9.3 | 6lxt | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | S2 unit |
| -9.3 | 6m71 | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m71 | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB14152 | Ginsenosides | NLHQJXWYMZLQJY-SWIZOJJJSA-N | spike glycoprotein |
| -9.3 | 6crv | DB07793 | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | ACSGSLPOHKRZCY-GXTWGEPZSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB08881 | Vemurafenib | GPXBXXGIAQBQNI-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB03383 | 5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide | YDCGVASFVACWKF-NRFANRHFSA-N | 3CL pro |
| -9.3 | 6vxx | DB03671 | 4-(3,12,14-Trihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | SHIBSTMRCDJXLN-KCZCNTNESA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 7bv1 | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB03300 | Pterin Cytosine Dinucleotide | WKSPNQYEWZEMMI-FEFZDOOUSA-N | nucleocapsid protein |
| -9.3 | 6lzg | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6m3m | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m71 | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m71 | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6w4b | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | nsp9 |
| -9.3 | 6vxs | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxx | DB08846 | Ellagic Acid | AFSDNFLWKVMVRB-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07663 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | QISJEFYTLZTWIQ-CQSZACIVSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB15448 | Acumapimod | VGUSQKZDZHAAEE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07664 | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | ARIOBGGRZJITQX-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB04215 | CRA_9076 | BVTBOJXEAPSOEB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6w9c | DB12515 | 9-aminocamptothecin | FUXVKZWTXQUGMW-FQEVSTJZSA-N | PL pro |
| -9.3 | 6m3m | DB13074 | Macimorelin | UJVDJAPJQWZRFR-DHIUTWEWSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | 3CL pro |
| -9.3 | 6m2n | DB08305 | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | KQAGZLQCEURCKJ-QGZVFWFLSA-N | 3CL pro |
| -9.3 | 6m2n | DB14627 | Oxyphenisatin acetate | PHPUXYRXPHEJDF-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6w4h | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | nsp16 - nsp10 |
| -9.3 | 6w4h | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | nsp16 - nsp10 |
| -9.3 | 6w9c | DB11952 | Duvelisib | SJVQHLPISAIATJ-ZDUSSCGKSA-N | PL pro |
| -9.3 | 6m3m | DB06977 | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine | CAASENZOSQYNPX-HSTJUUNISA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB08834 | Tauroursodeoxycholic acid | BHTRKEVKTKCXOH-LBSADWJPSA-N | 3CL pro |
| -9.3 | 6m3m | DB12952 | Methylprednisone | SVYCRJXQZUCUND-PQXSVQADSA-N | nucleocapsid protein |
| -9.3 | 6vxs | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxs | DB07369 | N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | YMJLSOJLEXWATP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxs | DB07186 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE | TYYNSDQVFIOSFH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB12015 | Alpelisib | STUWGJZDJHPWGZ-LBPRGKRZSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB01061 | Azlocillin | JTWOMNBEOCYFNV-NFFDBFGFSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB07969 | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | QNCYYRHIUFGGJX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB07140 | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | JPENSYBRTSIYGO-AWEZNQCLSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB05959 | ENMD-1198 | YQJWOUQGXATDAE-ACNBBOPNSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB07014 | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole | TUTZKAQTSPMEBI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m71 | DB04609 | INHIBITOR Q8467 OF DUPONT MERCK | HFLCERPZYCWLSZ-VKONIRKNSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB13129 | Trimegestone | JUNDJWOLDSCTFK-MTZCLOFQSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | S2 unit |
| -9.3 | 6vxs | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6m2n | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | 3CL pro |
| -9.3 | 6w9c | DB06809 | Plerixafor | YIQPUIGJQJDJOS-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m2n | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m71 | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB01481 | 1-Testosterone | OKJCFMUGMSVJBG-ABEVXSGRSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | spike glycoprotein |
| -9.3 | 6crv | DB06281 | Torcetrapib | CMSGWTNRGKRWGS-NQIIRXRSSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6m3m | DB04879 | Vatalanib | YCOYDOIWSSHVCK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB03447 | Uridylyl-2'-5'-Phospho-Adenosine | QARCCHXXGAIRFS-KPKSGTNCSA-N | 3CL pro |
| -9.3 | 6w9c | DB13072 | GDC-0349 | RGJOJUGRHPQXGF-INIZCTEOSA-N | PL pro |
| -9.3 | 6vxs | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6m3m | DB02554 | Sulfoquinovose-Uridine-C1,5'-Diphosphate | FQANCGQCBCUSMI-JZMIEXBBSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB02976 | Uridine-5'-monophosphate 2-deoxy-2-fluoro-galactopyranosyl-monophosphate ester | NGTCPFGWXMBZEP-KBQKSTHMSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB12823 | Tecarfarin | QFLNTQDOVCLQKW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB00611 | Butorphanol | IFKLAQQSCNILHL-PWRODBHTSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | 3CL pro |
| -9.3 | 6vxs | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB12361 | Piclozotan | URMTUEWUIGOJBW-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB00621 | Oxandrolone | QSLJIVKCVHQPLV-PEMPUTJUSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6w9c | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | PL pro |
| -9.3 | 6vxs | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6cs2 | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB01238 | Aripiprazole | CEUORZQYGODEFX-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | 3CL pro |
| -9.3 | 7bv1 | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6w9c | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | PL pro |
| -9.3 | 6m3m | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB11864 | Preladenant | DTYWJKSSUANMHD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB06732 | beta-Naphthoflavone | OUGIDAPQYNCXRA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB00737 | Meclizine | OCJYIGYOJCODJL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB07742 | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE | QASSMVGOSBNFQY-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6cs2 | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6lzg | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6vxx | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB07070 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid | BDLLIPYDNFENMY-ZDUSSCGKSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6cs2 | DB15173 | JNJ-42165279 | YWGYNGCRVZLMCS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6w9c | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | PL pro |
| -9.3 | 7bv1 | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6w9c | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m2n | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | 3CL pro |
| -9.3 | 6m2n | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6lxt | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | S2 unit |
| -9.3 | 6crv | DB13088 | AZD-0424 | MVWATCATLSSVBH-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB00522 | Bentiromide | SPPTWHFVYKCNNK-FQEVSTJZSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB04879 | Vatalanib | YCOYDOIWSSHVCK-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | RUUOIINPNMNPIU-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6crv | DB01392 | Yohimbine | BLGXFZZNTVWLAY-SCYLSFHTSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB01380 | Cortisone acetate | ITRJWOMZKQRYTA-RFZYENFJSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07354 | 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM | LXDREMZQGAILJU-UHFFFAOYSA-O | nucleocapsid protein |
| -9.3 | 6vxx | DB03141 | 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril | UYUWNNRWESUYOB-FIRIVFDPSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB03619 | Deoxycholic Acid | KXGVEGMKQFWNSR-LLQZFEROSA-N | nucleocapsid protein |
| -9.3 | 7bv1 | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB07064 | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE | HPVCRUIDFODATB-LJQANCHMSA-N | spike glycoprotein |
| -9.3 | 6lzg | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6w4h | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6vxx | DB03376 | '5'-O-(N-(L-Alanyl)-Sulfamoyl)Adenosine | CWWYMWDIYBJVLP-YTMOPEAISA-N | spike glycoprotein |
| -9.3 | 6m2n | DB01234 | Dexamethasone | UREBDLICKHMUKA-CXSFZGCWSA-N | 3CL pro |
| -9.3 | 6cs2 | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6cs2 | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxx | DB12129 | Tideglusib | PMJIHLSCWIDGMD-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6lxt | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | S2 unit |
| -9.3 | 6m2n | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | 3CL pro |
| -9.3 | 6crv | DB12308 | Eltanolone | AURFZBICLPNKBZ-YZRLXODZSA-N | spike glycoprotein |
| -9.3 | 6crv | DB05532 | BMS-488043 | DBPMWRYLTBNCCE-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB13563 | Norgestrienone | GVDMJXQHPUYPHP-FYQPLNBISA-N | nucleocapsid protein |
| -9.3 | 6lxt | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | S2 unit |
| -9.3 | 6vxx | DB07426 | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | NWIARQRYIRVYCM-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB06743 | Ginkgolide A | FPUXKXIZEIDQKW-VKMVSBOZSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | nsp16 - nsp10 |
| -9.3 | 6crv | DB06747 | ginkgolide-M | KDKROYXEHCYLJQ-FJFAJXJPSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB14029 | Furafylline | HMZQULPVMKITSP-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB08449 | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid | IEVFQDJUDLCOQY-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB04850 | Posizolid | HBUJYEUPIIJJOS-PBHICJAKSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB02498 | Carba-Nicotinamide-Adenine-Dinucleotide | DGPLSUKWXXSBCU-VGXGLJSLSA-O | nucleocapsid protein |
| -9.3 | 6crv | DB00737 | Meclizine | OCJYIGYOJCODJL-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB06847 | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | YYCPXVRHQUEVAW-CQSZACIVSA-N | nucleocapsid protein |
| -9.3 | 6w4b | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | nsp9 |
| -9.3 | 6lxt | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | S2 unit |
| -9.3 | 6w4h | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6cs2 | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB13062 | ME-344 | QVCAATSEPLQVBX-FPOVZHCZSA-N | spike glycoprotein |
| -9.3 | 6crv | DB12885 | CF-102 | IPSYPUKKXMNCNQ-PFHKOEEOSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB03213 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone | VVVXDHROXQUONB-UHFFFAOYSA-P | nucleocapsid protein |
| -9.3 | 6w9c | DB14793 | RO-5045337 | QBGKPEROWUKSBK-QPPIDDCLSA-N | PL pro |
| -9.3 | 6vxs | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6m2n | DB03671 | 4-(3,12,14-Trihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | SHIBSTMRCDJXLN-KCZCNTNESA-N | 3CL pro |
| -9.3 | 6m2n | DB15003 | PF-06700841 | BUWBRTXGQRBBHG-MJBXVCDLSA-N | 3CL pro |
| -9.3 | 6m2n | DB12823 | Tecarfarin | QFLNTQDOVCLQKW-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6crv | DB01149 | Nefazodone | VRBKIVRKKCLPHA-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB09291 | Rolapitant | FIVSJYGQAIEMOC-ZGNKEGEESA-N | 3CL pro |
| -9.3 | 6vxx | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB12798 | Relenopride | KGMMSPVVHZGPHL-NRFANRHFSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB14846 | Bimiralisib | ADGGYDAFIHSYFI-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m3m | DB07229 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE | MINVOLKUPZPDNX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB03186 | U-Pi-a-Pi | JIAJERGOUFOENU-LNAOLWRRSA-N | S2 unit |
| -9.3 | 6w9c | DB14866 | Amcasertib | QDWKGEFGLQMDAM-ULJHMMPZSA-N | PL pro |
| -9.3 | 6m3m | DB06871 | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | FQMQOMRDADWGJJ-GBESFXJTSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB07421 | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile | INVUBEGZQHQAMY-SJORKVTESA-N | spike glycoprotein |
| -9.3 | 6w4h | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | nsp16 - nsp10 |
| -9.3 | 6m71 | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB13484 | Quinbolone | IUVKMZGDUIUOCP-BTNSXGMBSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB07274 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide | ZATGFXTWDKIEKC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07584 | N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | OKGCSZUKOGMZAL-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB11960 | Carboxyamidotriazole | WNRZHQBJSXRYJK-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6w9q | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | nsp9 RNA-replicase |
| -9.3 | 6lxt | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6w4h | DB11773 | BMS-903452 | OGIAVRWXUPYGGC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB07270 | N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE | GAYYMURZGLJDCT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | spike glycoprotein |
| -9.3 | 6lxt | DB13089 | Enoxolone | MPDGHEJMBKOTSU-YKLVYJNSSA-N | S2 unit |
| -9.3 | 6crv | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07263 | [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | WDTMVBQZDFMOIK-GOSISDBHSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07588 | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID | FZDVNXHYGMEEDT-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB15358 | JNJ-54175446 | CWFVVQFVGMFTBD-SECBINFHSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB00700 | Eplerenone | JUKPWJGBANNWMW-VWBFHTRKSA-N | spike glycoprotein |
| -9.3 | 6m71 | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6w4h | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6w9q | DB03480 | Brequinar Analog | WYKKHJQZENLZID-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.3 | 6crv | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB01820 | Compound 12, N-Acetyl-4-[(Carboxycarbonyl)(2-Carboxyphenyl)Amino]-N-Pentyl-1-Napthylalaniamide | UESXELNYBIOROE-QHCPKHFHSA-N | 3CL pro |
| -9.3 | 6m2n | DB08883 | Perampanel | PRMWGUBFXWROHD-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 7bv1 | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB13002 | HKI-357 | NERXPXBELDBEPZ-RMKNXTFCSA-N | spike glycoprotein |
| -9.3 | 6crv | DB08622 | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL | KVDKNVPAAQKHKD-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB00713 | Oxacillin | UWYHMGVUTGAWSP-JKIFEVAISA-N | spike glycoprotein |
| -9.3 | 6crv | DB08073 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | YWTBGJGMTBHQTM-IBGZPJMESA-N | spike glycoprotein |
| -9.3 | 6lxt | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | S2 unit |
| -9.3 | 6m2n | DB08494 | S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate | AWAKIULNKVOBKE-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 7bv1 | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB07203 | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE | OUEGMEMDEAOAEG-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6lxt | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | S2 unit |
| -9.3 | 6m3m | DB00251 | Terconazole | BLSQLHNBWJLIBQ-OZXSUGGESA-N | nucleocapsid protein |
| -9.3 | 6lzg | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6crv | DB03701 | Vanoxerine | NAUWTFJOPJWYOT-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB08005 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide | ARMFMDYRYOKSOW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB03501 | Galactose-uridine-5'-diphosphate | HSCJRCZFDFQWRP-ABVWGUQPSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB06673 | Almorexant | DKMACHNQISHMDN-RPLLCQBOSA-N | PL pro |
| -9.3 | 6crv | DB02833 | [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine | DYTKVFHLKPDNRW-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6w4h | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | nsp16 - nsp10 |
| -9.3 | 6vxs | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6w9c | DB06721 | Gimatecan | UIVFUQKYVFCEKJ-OPTOVBNMSA-N | PL pro |
| -9.3 | 6w4h | DB00303 | Ertapenem | JUZNIMUFDBIJCM-ANEDZVCMSA-N | nsp16 - nsp10 |
| -9.3 | 6w4h | DB15227 | Tirabrutinib | SEJLPXCPMNSRAM-GOSISDBHSA-N | nsp16 - nsp10 |
| -9.3 | 6vxx | DB08174 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE | QCPYHSAHOYXXQK-DLBZAZTESA-N | spike glycoprotein |
| -9.3 | 6crv | DB02861 | 4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide | DEHMSTGBNAXEGX-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6lzg | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 7bv1 | DB13422 | Nicofuranose | FUWFSXZKBMCSKF-ZASNTINBSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB12081 | Anecortave | BCFCRXOJOFDUMZ-ONKRVSLGSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB15046 | LY-2881835 | FHRWHNJJQGSCQC-LJAQVGFWSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB08233 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | RFSDQDHHBKYQOD-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m3m | DB08739 | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | ZSXNPAWXICXNGZ-HNNXBMFYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB02882 | Cyanocinnoline | CUWRVIIPSSUUDJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB12787 | Norethandrolone | ZDHCJEIGTNNEMY-XGXHKTLJSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB01485 | 4-Hydroxytestosterone | BQOIJSIMMIDHMO-FBPKJDBXSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | nucleocapsid protein |
| -9.3 | 6vxs | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6cs2 | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m71 | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m2n | DB12320 | Palovarotene | YTFHCXIPDIHOIA-DHZHZOJOSA-N | 3CL pro |
| -9.3 | 6cs2 | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m2n | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6cs2 | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxx | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | S2 unit |
| -9.3 | 6crv | DB03758 | Radicicol | WYZWZEOGROVVHK-GTMNPGAYSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB14769 | Pamiparib | DENYZIUJOTUUNY-MRXNPFEDSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6cs2 | DB08710 | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE | BKZOQCGDCHOGOQ-MZLJFPOFSA-N | ACE2 area for S-protein binding |
| -9.3 | 6cs2 | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB00206 | Reserpine | QEVHRUUCFGRFIF-MDEJGZGSSA-N | PL pro |
| -9.3 | 6cs2 | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6w9c | DB00223 | Diflorasone | WXURHACBFYSXBI-XHIJKXOTSA-N | PL pro |
| -9.3 | 6lxt | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | S2 unit |
| -9.3 | 7bv1 | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB02123 | Glycochenodeoxycholic Acid | GHCZAUBVMUEKKP-GYPHWSFCSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB03755 | Adenosine-5'-[Beta, Gamma-Methylene]Tetraphosphate | ARRGHMSEJJFDME-IOSLPCCCSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxx | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB02155 | Balanol Analog 8 | XVLMXAUKCDSMMW-YXLARRHKSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB03744 | Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate | RONLONYAIBUEKT-IBGZPJMESA-N | spike glycoprotein |
| -9.3 | 6m2n | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | 3CL pro |
| -9.3 | 6vxx | DB12622 | Lupeol | MQYXUWHLBZFQQO-QGTGJCAVSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxx | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB01705 | Bis(5-Amidino-Benzimidazolyl)Methane | QZKOOEFIMWKZPK-UHFFFAOYSA-Q | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB02046 | N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid | WHPKSASOSKNDPY-PKOBYXMFSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB01893 | N6-Benzyl Adenosine-5'-Diphosphate | MRHGMAGSDAQUFH-LSCFUAHRSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB12025 | Triptolide | DFBIRQPKNDILPW-CIVMWXNOSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB08043 | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA | DDDLGNOZDKDSEG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | PL pro |
| -9.3 | 6vxx | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB02804 | A-98881 | PMBZSBGCSQGJAQ-GRKNLSHJSA-N | spike glycoprotein |
| -9.3 | 6crv | DB12447 | Nadifloxacin | JYJTVFIEFKZWCJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB15141 | Deutivacaftor | PURKAOJPTOLRMP-ASMGOKTBSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB06933 | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | GJTCKUKIFXWJKG-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m71 | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxx | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | spike glycoprotein |
| -9.3 | 6crv | DB03005 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | ISUOMOOYAOQQPZ-UHFFFAOYSA-O | spike glycoprotein |
| -9.3 | 6w9c | DB06263 | Amrubicin | VJZITPJGSQKZMX-XDPRQOKASA-N | PL pro |
| -9.3 | 6vxs | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6m2n | DB00694 | Daunorubicin | STQGQHZAVUOBTE-VGBVRHCVSA-N | 3CL pro |
| -9.3 | 6w9c | DB08865 | Crizotinib | KTEIFNKAUNYNJU-GFCCVEGCSA-N | PL pro |
| -9.3 | 6vxx | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | S2 unit |
| -9.3 | 6w4h | DB14821 | Macozinone | BJDZBXGJNBMCAV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB07891 | 4-{[(14beta,17alpha)-3-hydrox1tra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | YJPIDPAGJSWWBE-FNIAAEIWSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07467 | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide | NDDAHWYSQHTHNT-JTQLQIEISA-N | spike glycoprotein |
| -9.3 | 6vxx | DB05414 | Pipendoxifene | JICOGKJOQXTAIP-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxs | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | ribose phosphatase of NSP3 |
| -9.3 | 6w4h | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | nsp16 - nsp10 |
| -9.3 | 6w4h | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | nsp16 - nsp10 |
| -9.3 | 6w9c | DB08930 | Dolutegravir | RHWKPHLQXYSBKR-BMIGLBTASA-N | PL pro |
| -9.3 | 6w9c | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m2n | DB12303 | Motolimod | QSPOQCXMGPDIHI-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB07471 | 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE | UHCHLTQBLNUYRT-GFCCVEGCSA-N | spike glycoprotein |
| -9.3 | 6vxs | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6m2n | DB14664 | Difluocortolone pivalate | UWGRWFCLGQWKPR-GSTUPEFVSA-N | 3CL pro |
| -9.3 | 6crv | DB03041 | UDP-alpha-D-glucuronic acid | HDYANYHVCAPMJV-LXQIFKJMSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | spike glycoprotein |
| -9.3 | 6vxx | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | spike glycoprotein |
| -9.3 | 6vxx | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB13212 | Phenolsulfonphthalein | BELBBZDIHDAJOR-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6cs2 | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB06992 | (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone | SIDDLTBLAQYZIZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB14717 | Nitrazolam | OYRPNABWTHDOFK-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB15031 | Nemorexant | NBGABHGMJVIVBW-QHCPKHFHSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB07861 | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide | MMOUXLMPQFMDRD-JOCHJYFZSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB01933 | 7-Hydroxystaurosporine | PBCZSGKMGDDXIJ-HQCWYSJUSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6m3m | DB09534 | Ecamsule | HEAHZSUCFKFERC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxs | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxx | DB12960 | INCB-9471 | ZMCJFJZOSKEMOM-DNKZPPIMSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07949 | ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID | BFQRPTKOSYMPOL-LALPNIDTSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | PL pro |
| -9.3 | 6w9c | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | PL pro |
| -9.3 | 6lxt | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | S2 unit |
| -9.3 | 6m3m | DB08750 | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE | SFPCNWQWKOUNRT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB07965 | 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile | OGODDSLNRULSMM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB12532 | Oxetacaine | FTLDJPRFCGDUFH-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB06420 | Annamycin | CIDNKDMVSINJCG-GKXONYSUSA-N | PL pro |
| -9.3 | 6cs2 | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m2n | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | 3CL pro |
| -9.3 | 6vxx | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB02691 | Glycocholic acid | RFDAIACWWDREDC-FRVQLJSFSA-M | PL pro |
| -9.3 | 6lzg | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6vxx | DB00713 | Oxacillin | UWYHMGVUTGAWSP-JKIFEVAISA-N | spike glycoprotein |
| -9.3 | 6m71 | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 7bv1 | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6w9c | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | PL pro |
| -9.3 | 6crv | DB12434 | Steviolbioside | OMHUCGDTACNQEX-OSHKXICASA-N | spike glycoprotein |
| -9.3 | 6m2n | DB08460 | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile | KXDIHAQCVNNLIB-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6w4h | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | nsp16 - nsp10 |
| -9.3 | 6crv | DB01944 | (S)-blebbistatin | LZAXPYOBKSJSEX-GOSISDBHSA-N | spike glycoprotein |
| -9.3 | 7bv1 | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB01893 | N6-Benzyl Adenosine-5'-Diphosphate | MRHGMAGSDAQUFH-LSCFUAHRSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB12659 | SJ-733 | VKCPFWKTFZAOTO-LEWJYISDSA-N | 3CL pro |
| -9.3 | 6crv | DB08300 | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | UOKGZPYGRJDACN-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB06454 | Sarizotan | HKFMQJUJWSFOLY-OAQYLSRUSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB07941 | PH-797804 | KCAJXIDMCNPGHZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB11867 | JNJ-39393406 | IURMHZBQEYNQOH-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB14716 | Clonazolam | XJRGLCAWBRZUFC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB08707 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine | AQVFETGXIRKVAQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m71 | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6w9c | DB06955 | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | OAMCCJASDLMTOO-UHFFFAOYSA-N | PL pro |
| -9.3 | 6w9c | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | PL pro |
| -9.3 | 6crv | DB08922 | Perospirone | FBVFZWUMDDXLLG-HDICACEKSA-N | spike glycoprotein |
| -9.3 | 6crv | DB13327 | Picotamide | KYWCWBXGRWWINE-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | PL pro |
| -9.3 | 6cs2 | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m2n | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6w9c | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | PL pro |
| -9.3 | 6crv | DB04180 | 4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide | NTDFJEKGSGSXME-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB08493 | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID | AKWKBACKRMYPRV-NQIIRXRSSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | ACE2 area for S-protein binding |
| -9.3 | 6lxt | DB04960 | Tipifarnib | PLHJCIYEEKOWNM-HHHXNRCGSA-N | S2 unit |
| -9.3 | 6crv | DB02573 | 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate | LYWWDKIADIGKTH-IDMWBNCISA-N | spike glycoprotein |
| -9.3 | 6vxx | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxx | DB05611 | Apilimod | HSKAZIJJKRAJAV-KOEQRZSOSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB00836 | Loperamide | RDOIQAHITMMDAJ-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m3m | DB01876 | Bis(5-Amidino-2-Benzimidazolyl)Methanone | VVVXDHROXQUONB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 7bv1 | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m71 | DB13997 | Baloxavir marboxil | RZVPBGBYGMDSBG-GGAORHGYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB11712 | Tezacaftor | MJUVRTYWUMPBTR-MRXNPFEDSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB11901 | Apalutamide | HJBWBFZLDZWPHF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m2n | DB15062 | Inarigivir | LYMICVBGNUEHGE-FUQPUAIBSA-N | 3CL pro |
| -9.3 | 6vxx | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | RUUOIINPNMNPIU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | nsp16 - nsp10 |
| -9.3 | 6w9c | DB07856 | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE | HPWBHQIUIBFTQC-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m2n | DB05171 | E-2012 | PUOAETJYKQITMO-LANLRWRYSA-N | 3CL pro |
| -9.3 | 6m71 | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m2n | DB15222 | GS-6620 | YAAQYJCOIFNMKX-RSTNYOGXSA-N | 3CL pro |
| -9.3 | 6w9c | DB00948 | Mezlocillin | YPBATNHYBCGSSN-VWPFQQQWSA-N | PL pro |
| -9.3 | 6crv | DB07409 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | MPBUFKZCEBTBSK-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB11867 | JNJ-39393406 | IURMHZBQEYNQOH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m71 | DB05983 | Bardoxolone methyl | WPTTVJLTNAWYAO-KPOXMGGZSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB07653 | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE | VXTCEUDVOCLEJG-UHFFFAOYSA-N | PL pro |
| -9.3 | 6w9c | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m3m | DB05465 | Tandutinib | UXXQOJXBIDBUAC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | PL pro |
| -9.3 | 6crv | DB07212 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE | NNGZRCYXFBHMRM-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB08389 | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UPTQSRGSSJRBKJ-LJQANCHMSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB11789 | Hyodeoxycholic Acid | DGABKXLVXPYZII-SIBKNCMHSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB11795 | GSK-2636771 | XTKLTGBKIDQGQL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 7bv1 | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | spike glycoprotein |
| -9.3 | 6w9c | DB07544 | N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE | ZLQBZYKAQQWOTK-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m71 | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxx | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB08437 | Puromycin | RXWNCPJZOCPEPQ-NVWDDTSBSA-N | 3CL pro |
| -9.3 | 7bv1 | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB04125 | N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine | ZUWBXGHMVKDMQO-DEOSSOPVSA-N | spike glycoprotein |
| -9.3 | 6crv | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | spike glycoprotein |
| -9.3 | 6crv | DB07814 | Gibberellic acid | IXORZMNAPKEEDV-OBDJNFEBSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6vxx | DB07074 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER | OUBRALHIKGRAMA-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB12443 | Sonedenoson | WUCQGGOGHZRELS-LSCFUAHRSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m2n | DB05327 | Ranirestat | QCVNMNYRNIMDKV-QGZVFWFLSA-N | 3CL pro |
| -9.3 | 6crv | DB07813 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | KCELZXZDIUJGNM-GUYCJALGSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB01148 | Flavoxate | SPIUTQOUKAMGCX-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | spike glycoprotein |
| -9.3 | 6crv | DB15143 | PF-06650833 | JKDGKIBAOAFRPJ-ZBINZKHDSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m71 | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxx | DB01177 | Idarubicin | XDXDZDZNSLXDNA-TZNDIEGXSA-N | spike glycoprotein |
| -9.3 | 6crv | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB07395 | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | NWQGDIBCFLDHDO-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB04424 | RPR128515 | XFKVLKLCLYJKNF-MZNJEOGPSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | 3CL pro |
| -9.3 | 6m2n | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6w9c | DB07031 | 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid | AANFHDFOMFRLLR-LJQANCHMSA-N | PL pro |
| -9.3 | 6cs2 | DB12120 | Avoralstat | TUWMKPVJGGWGNL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB14866 | Amcasertib | QDWKGEFGLQMDAM-ULJHMMPZSA-N | nucleocapsid protein |
| -9.3 | 6lxt | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6lxt | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6m3m | DB00881 | Quinapril | JSDRRTOADPPCHY-HSQYWUDLSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB11951 | Lemborexant | MUGXRYIUWFITCP-PGRDOPGGSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB07769 | S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | KJMFOTCDISOHDX-INIZCTEOSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB08597 | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | XHBVYDAKJHETMP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB08059 | Wortmannin | QDLHCMPXEPAAMD-QAIWCSMKSA-N | PL pro |
| -9.3 | 6crv | DB08272 | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | YDWIUFASTTZKNI-UONOGXRCSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | S2 unit |
| -9.3 | 6m2n | DB13931 | Netarsudil | OURRXQUGYQRVML-AREMUKBSSA-N | 3CL pro |
| -9.3 | 6m2n | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6crv | DB02217 | Dpb-T | WTZFKHNHHRPQOU-WSMBLCCSSA-N | spike glycoprotein |
| -9.3 | 6crv | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | spike glycoprotein |
| -9.3 | 6crv | DB02197 | 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide | NKORVPQBJCGYEC-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB00324 | Fluorometholone | FAOZLTXFLGPHNG-KNAQIMQKSA-N | PL pro |
| -9.3 | 6cs2 | DB07835 | N-3-cyclopropyl-N-4-'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide | BOPSUAHGQHFKGG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m71 | DB09063 | Ceritinib | VERWOWGGCGHDQE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6w9c | DB08204 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE | FLWABCQDXUKNQY-UHFFFAOYSA-N | PL pro |
| -9.3 | 6w9c | DB08197 | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime | KYIXUSLGFINPTC-WVFAEZDRSA-N | PL pro |
| -9.3 | 6w9c | DB02123 | Glycochenodeoxycholic Acid | GHCZAUBVMUEKKP-GYPHWSFCSA-N | PL pro |
| -9.3 | 6lxt | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6m71 | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB12731 | Daporinad | KPBNHDGDUADAGP-VAWYXSNFSA-N | spike glycoprotein |
| -9.3 | 6crv | DB02194 | 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | ULLMMKZQNNBLRN-SANMLTNESA-N | spike glycoprotein |
| -9.3 | 6m3m | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB01012 | Cinacalcet | VDHAWDNDOKGFTD-MRXNPFEDSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB12524 | BI-671800 | XEOSTBFUCNZKGS-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6vxs | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6crv | DB13563 | Norgestrienone | GVDMJXQHPUYPHP-FYQPLNBISA-N | spike glycoprotein |
| -9.3 | 6m71 | DB08993 | Enviomycin | HPWIIERXAFODPP-GHBBWTPBSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6crv | DB02616 | FR117016 | CKJGKHXCUDWFDC-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | PL pro |
| -9.3 | 6m3m | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | YBKLJTXDSBEVRV-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB07337 | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | SOKOHDQTKSROQZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6lxt | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | S2 unit |
| -9.3 | 6w4h | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m2n | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB01889 | 16,17-Androstene-3-Ol | KRVXMNNRSSQZJP-PHFHYRSDSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB03925 | Freselestat | HMPQTEPEMQZWQH-QZTJIDSGSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6lxt | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | S2 unit |
| -9.3 | 6m71 | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6cs2 | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB11814 | PF-03882845 | XNULRSOGWPFPBL-REWPJTCUSA-N | spike glycoprotein |
| -9.3 | 6crv | DB03916 | 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine | RHOOHUMOHVIXEF-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB08197 | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime | KYIXUSLGFINPTC-WVFAEZDRSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB02338 | Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate | ACFIXJIJDZMPPO-NNYOXOHSSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB04097 | Uridine-5'-Diphosphate-4-Deoxy-4-Fluoro-Alpha-D-Galactose | OAPPZHVTNHJVAL-JZMIEXBBSA-N | nucleocapsid protein |
| -9.3 | 7bv1 | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m2n | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | YBKLJTXDSBEVRV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB02259 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide | VSYGXLAJQDAWCZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6lxt | DB05903 | KOS-1584 | XAYAKDZVINDZGB-BMVMHAJPSA-N | S2 unit |
| -9.3 | 6w9c | DB00591 | Fluocinolone acetonide | FEBLZLNTKCEFIT-VSXGLTOVSA-N | PL pro |
| -9.3 | 6m71 | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m71 | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 7bv1 | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 7bv1 | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 7bv1 | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB11679 | Fruquintinib | BALLNEJQLSTPIO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB04540 | Cholesterol | HVYWMOMLDIMFJA-DPAQBDIFSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB08864 | Rilpivirine | YIBOMRUWOWDFLG-ONEGZZNKSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB06455 | Meclinertant | DYLJVOXRWLXDIG-UHFFFAOYSA-N | PL pro |
| -9.3 | 6vxx | DB07215 | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID | ILUPZUOBHCUBKB-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB11795 | GSK-2636771 | XTKLTGBKIDQGQL-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m2n | DB06401 | Bazedoxifene | UCJGJABZCDBEDK-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB07697 | 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine | HMGDKYUJSFVHIY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | PL pro |
| -9.3 | 6m3m | DB01155 | Gemifloxacin | ZRCVYEYHRGVLOC-HYARGMPZSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB08204 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE | FLWABCQDXUKNQY-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6crv | DB03472 | Cyclohexyl-Hexyl-Beta-D-Maltoside | WUCWJXGMSXTDAV-QKMCSOCLSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | PL pro |
| -9.3 | 6w9c | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | PL pro |
| -9.3 | 6crv | DB09274 | Artesunate | FIHJKUPKCHIPAT-AHIGJZGOSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB14944 | Tarloxotinib | MUJMYVFVAWFUJL-SNAWJCMRSA-O | spike glycoprotein |
| -9.3 | 6lxt | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6w9c | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | PL pro |
| -9.3 | 6w9c | DB03791 | (3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid | NAXSRXHZFIBFMI-UHFFFAOYSA-N | PL pro |
| -9.3 | 6vxx | DB14982 | Miransertib | HNFMVVHMKGFCMB-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6lxt | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | S2 unit |
| -9.3 | 6crv | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB15266 | TAK-580 | VWMJHAFYPMOMGF-ZCFIWIBFSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | PL pro |
| -9.3 | 6crv | DB11662 | Rabusertib | SYYBDNPGDKKJDU-ZDUSSCGKSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | PL pro |
| -9.3 | 6m2n | DB00796 | Candesartan cilexetil | GHOSNRCGJFBJIB-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6crv | DB13491 | Fluperolone | SLVCCRYLKTYUQP-DVTGEIKXSA-N | spike glycoprotein |
| -9.3 | 6crv | DB01689 | Inhibitor Idd 384 | CJKKMQCZOLCXAM-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB03173 | CRA_10433 | CFSQPEBVGUSQII-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB06677 | Clazosentan | LFWCJABOXHSRGC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxs | DB02498 | Carba-Nicotinamide-Adenine-Dinucleotide | DGPLSUKWXXSBCU-VGXGLJSLSA-O | ribose phosphatase of NSP3 |
| -9.3 | 7bv1 | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6cs2 | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m2n | DB06346 | Fiboflapon | DFQGDHBGRSTTHX-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB12252 | PG-701 | OKRSVUYYCJPECG-LFGMFVMYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB01767 | Hemi-Babim | KKJYVDXDZURHMA-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | PL pro |
| -9.3 | 6vxx | DB07993 | N-3-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE | LPQUIIHPUGDHJK-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB08353 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | NCVMTHVSAJMOPI-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m2n | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | 3CL pro |
| -9.3 | 6m3m | DB08905 | Formestane | OSVMTWJCGUFAOD-KZQROQTASA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB15246 | Salvianolic acid A | YMGFTDKNIWPMGF-UCPJVGPRSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB15292 | Foliglurax | ZTEDNASHAWNBKQ-NCELDCMTSA-N | 3CL pro |
| -9.3 | 6lzg | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6m2n | DB07369 | N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | YMJLSOJLEXWATP-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6vxx | DB12295 | Evodenoson | SQJXTUJMBYVDBB-RQXXJAGISA-N | spike glycoprotein |
| -9.3 | 6vxx | DB15275 | GDC-0077 | SGEUNORSOZVTOL-CABZTGNLSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB12434 | Steviolbioside | OMHUCGDTACNQEX-OSHKXICASA-N | spike glycoprotein |
| -9.3 | 6crv | DB13434 | Fenticonazole | ZCJYUTQZBAIHBS-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB08930 | Dolutegravir | RHWKPHLQXYSBKR-BMIGLBTASA-N | 3CL pro |
| -9.3 | 6w4h | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB00304 | Desogestrel | RPLCPCMSCLEKRS-BPIQYHPVSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB05408 | Emricasan | SCVHJVCATBPIHN-SJCJKPOMSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB03495 | 4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose | FZLCJZILHGFQLM-PISLJJGOSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB07393 | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE | GSKNNHAAFLPYHG-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6lzg | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6m2n | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | 3CL pro |
| -9.3 | 6w9c | DB12048 | Savolitinib | XYDNMOZJKOGZLS-NSHDSACASA-N | PL pro |
| -9.3 | 6vxx | DB15265 | USL-311 | XNUNVQKARNSSEO-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6vxx | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | nsp16 - nsp10 |
| -9.3 | 6cs2 | DB00991 | Oxaprozin | OFPXSFXSNFPTHF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB08747 | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | JJTPPGUNMJMPLY-QFIPXVFZSA-N | spike glycoprotein |
| -9.3 | 6w4h | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | nsp16 - nsp10 |
| -9.3 | 6vxx | DB13648 | Alcuronium | MUQUYTSLDVKIOF-CHJKCJHBSA-N | spike glycoprotein |
| -9.3 | 6crv | DB09231 | Benidipine | QZVNQOLPLYWLHQ-ZEQKJWHPSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m3m | DB00342 | Terfenadine | GUGOEEXESWIERI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6cs2 | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | ACE2 area for S-protein binding |
| -9.3 | 6m3m | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | nucleocapsid protein |
| -9.3 | 7bv1 | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6m3m | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | nsp16 - nsp10 |
| -9.3 | 6m2n | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6vxx | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB04342 | 7-((Carboxy(4-Hydroxyphenyl)Acetyl)Amino)-7-Methoxy-(3-((1-Methyl-1h-Tetrazol-5-Yl)Thio)Methyl)-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid | JWCSIUVGFCSJCK-LIUKBUMOSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB07546 | [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid | BBYRUZKRFAIQSR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB13089 | Enoxolone | MPDGHEJMBKOTSU-YKLVYJNSSA-N | 3CL pro |
| -9.3 | 6m3m | DB07544 | N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE | ZLQBZYKAQQWOTK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | nsp16 - nsp10 |
| -9.3 | 6vxs | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6vxx | DB07270 | N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE | GAYYMURZGLJDCT-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB09063 | Ceritinib | VERWOWGGCGHDQE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB04946 | Iloperidone | XMXHEBAFVSFQEX-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB06543 | Astaxanthin | MQZIGYBFDRPAKN-UWFIBFSHSA-N | 3CL pro |
| -9.3 | 6w4h | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6w9c | DB04042 | 2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol | XLJNZONSWKENRP-VABIIVNOSA-N | PL pro |
| -9.3 | 6crv | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6w9c | DB03903 | Tmr | KGFLZYXDJDOIEE-UHFFFAOYSA-N | PL pro |
| -9.3 | 6crv | DB03239 | 3',5'-Dinitro-N-Acetyl-L-Thyronine | VZSQTOXQXPKQJX-ZDUSSCGKSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07630 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-IAGOWNOFSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB12720 | Nivocasan | VYFGDLGHHBUDTQ-ZLGUVYLKSA-N | 3CL pro |
| -9.3 | 7bv1 | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6cs2 | DB14810 | AZD-1656 | FJEJHJINOKKDCW-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -9.3 | 6vxx | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB12308 | Eltanolone | AURFZBICLPNKBZ-YZRLXODZSA-N | nucleocapsid protein |
| -9.3 | 6m71 | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | nsp12-nsp7-nsp8 |
| -9.3 | 6vxx | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6crv | DB07141 | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | QVXYJVHNRPNRJL-HNNXBMFYSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | 3CL pro |
| -9.3 | 6lxt | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6crv | DB07269 | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID | SFUOOKBZBVUDBC-VQTJNVASSA-N | spike glycoprotein |
| -9.3 | 6crv | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | nucleocapsid protein |
| -9.3 | 6lxt | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | S2 unit |
| -9.3 | 6m2n | DB06518 | R-1487 | KKKRKRMVJRHDMG-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m2n | DB08698 | 1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL | BKSGACYTXOQQNI-OAQYLSRUSA-N | 3CL pro |
| -9.3 | 6w9c | DB04514 | Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester | DFYLLEBFVZTKHD-VMIOUTBZSA-N | PL pro |
| -9.3 | 6m3m | DB15282 | Fluorofuranylnorprogesterone F-18 | VJKRBRUNEOHPBS-JQKUZGBFSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB04030 | 1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole | ADXYEWMDAGIULV-UHFFFAOYSA-N | PL pro |
| -9.3 | 6m3m | DB07588 | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID | FZDVNXHYGMEEDT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB04040 | N-(2-Morpholin-4-Yl-1-Morpholin-4-Ylmethyl-Ethyl)-3-Nitro-5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yloxy)-Benzamide | MCMWCTMAKPQTPI-WGNYYXNJSA-N | PL pro |
| -9.3 | 6m3m | DB07578 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE | WUOLYUKMMRCXGH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6m3m | DB09230 | Azelnidipine | ZKFQEACEUNWPMT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | nucleocapsid protein |
| -9.3 | 6w9c | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | PL pro |
| -9.3 | 6w4h | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.3 | 6w9c | DB09223 | Blonanserin | XVGOZDAJGBALKS-UHFFFAOYSA-N | PL pro |
| -9.3 | 6vxs | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | ribose phosphatase of NSP3 |
| -9.3 | 6m3m | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | nucleocapsid protein |
| -9.3 | 6cs2 | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6w9c | DB05611 | Apilimod | HSKAZIJJKRAJAV-KOEQRZSOSA-N | PL pro |
| -9.3 | 6cs2 | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB01820 | Compound 12, N-Acetyl-4-[(Carboxycarbonyl)(2-Carboxyphenyl)Amino]-N-Pentyl-1-Napthylalaniamide | UESXELNYBIOROE-QHCPKHFHSA-N | spike glycoprotein |
| -9.3 | 6m2n | DB01100 | Pimozide | YVUQSNJEYSNKRX-UHFFFAOYSA-N | 3CL pro |
| -9.3 | 6m2n | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | 3CL pro |
| -9.3 | 6cs2 | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.3 | 6w9q | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | nsp9 RNA-replicase |
| -9.3 | 6w9c | DB05482 | 7-ethyl-10-hydroxycamptothecin | FJHBVJOVLFPMQE-QFIPXVFZSA-N | PL pro |
| -9.3 | 6w9c | DB03460 | Violaxanthin | SZCBXWMUOPQSOX-WVJDLNGLSA-N | PL pro |
| -9.3 | 6m3m | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB07832 | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde | VKQPTVJDZIILPG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6w4h | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | nsp16 - nsp10 |
| -9.3 | 6crv | DB07486 | 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline | KLSZVPNVFKKIRD-FNORWQNLSA-N | spike glycoprotein |
| -9.3 | 6cs2 | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | ACE2 area for S-protein binding |
| -9.3 | 6crv | DB08710 | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE | BKZOQCGDCHOGOQ-MZLJFPOFSA-N | spike glycoprotein |
| -9.3 | 6crv | DB13418 | Moxestrol | MTMZZIPTQITGCY-OLGWUGKESA-N | spike glycoprotein |
| -9.3 | 6w9c | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | PL pro |
| -9.3 | 6m2n | DB06786 | Halcinonide | MUQNGPZZQDCDFT-JNQJZLCISA-N | 3CL pro |
| -9.3 | 6vxx | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | nucleocapsid protein |
| -9.3 | 6m3m | DB07813 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | KCELZXZDIUJGNM-GUYCJALGSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB01089 | Deserpidine | CVBMAZKKCSYWQR-WCGOZPBSSA-N | 3CL pro |
| -9.3 | 6m3m | DB07792 | (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | VUKPNWLGSLOHIF-AWEZNQCLSA-N | nucleocapsid protein |
| -9.3 | 6m2n | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | 3CL pro |
| -9.3 | 6crv | DB07027 | D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide | JGZSVYZIJHGHMA-MOPGFXCFSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6lzg | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | Spike - human ACE2-SLC6A19 complex |
| -9.3 | 6m3m | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.3 | 6vxx | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | spike glycoprotein |
| -9.3 | 6m3m | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | nucleocapsid protein |
| -9.3 | 6crv | DB01830 | {4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid | SPSGYTWOIGAABK-DQEYMECFSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB00861 | Diflunisal | HUPFGZXOMWLGNK-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxs | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6vxx | DB06920 | Eribaxaban | QQBKAVAGLMGMHI-WIYYLYMNSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | 3CL pro |
| -9.2 | 6m3m | DB15092 | LY-2624803 | UEFWDVMEDFCHGW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB11622 | Dehydrocholic acid | OHXPGWPVLFPUSM-KLRNGDHRSA-N | 3CL pro |
| -9.2 | 6vxx | DB00670 | Pirenzepine | RMHMFHUVIITRHF-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxs | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB06927 | [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE | ZKJVCUXZMYKTLT-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB07024 | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE | CEXBEGBNDJVZPK-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB09050 | Ceftolozane | JHFNIHVVXRKLEF-DCZLAGFPSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | 3CL pro |
| -9.2 | 6m2n | DB07000 | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | ILXJWLWSYAWJKZ-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m3m | DB08881 | Vemurafenib | GPXBXXGIAQBQNI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB06909 | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | QZGJNFBMYYEFGM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | 3CL pro |
| -9.2 | 6vxx | DB13638 | Cefbuperazone | SMSRCGPDNDCXFR-CYWZMYCQSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB07642 | 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | GYKIQIOWVKCVBP-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB00158 | Folic acid | OVBPIULPVIDEAO-LBPRGKRZSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB04892 | Phenserine | PBHFNBQPZCRWQP-QUCCMNQESA-N | nucleocapsid protein |
| -9.2 | 6crv | DB11457 | Rotenone | JUVIOZPCNVVQFO-HBGVWJBISA-N | spike glycoprotein |
| -9.2 | 6w9q | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | nsp9 RNA-replicase |
| -9.2 | 6vxs | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w4h | DB04098 | Balanol | XYUFCXJZFZPEJD-PGRDOPGGSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB14068 | Dexniguldipine | SVJMLYUFVDMUHP-MGBGTMOVSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB06930 | N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide | WVLDNAVUCUAGDP-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB00670 | Pirenzepine | RMHMFHUVIITRHF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB07395 | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | NWQGDIBCFLDHDO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB07875 | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide | ARAVOODWJJJNBY-IRXDYDNUSA-N | 3CL pro |
| -9.2 | 6m3m | DB06257 | HE-2200 | OEVZKEVBDIDVOI-YSZCXEEOSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB07267 | 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine | JONFDFIXMPXTRH-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB08513 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | PAIQRYUOBBCBSE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB15065 | PF-06291874 | IBDYYOQKQCCSDP-QFIPXVFZSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB13689 | Tacalcitol | BJYLYJCXYAMOFT-RSFVBTMBSA-N | nucleocapsid protein |
| -9.2 | 6lzg | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6w9c | DB04575 | Quinestrol | PWZUUYSISTUNDW-VAFBSOEGSA-N | PL pro |
| -9.2 | 6vxx | DB04750 | OREGON GREEN 488 CARBOXYLATE | BRJCLSQFZSHLRL-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB11805 | Saracatinib | OUKYUETWWIPKQR-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w4h | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB11487 | Dexamethasone isonicotinate | BQTXJHAJMDGOFI-NJLPOHDGSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB01443 | 19-Nor-5-androstenedione | WELNRNVZXWUOGT-QXUSFIETSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB11485 | Ceftiofur | ZBHXIWJRIFEVQY-IHMPYVIRSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | 3CL pro |
| -9.2 | 6cs2 | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | ACE2 area for S-protein binding |
| -9.2 | 6crv | DB07271 | 4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one | RMDAPSXWBVPVOG-IAPIXIRKSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB06274 | Alvimopan | UPNUIXSCZBYVBB-JVFUWBCBSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB07450 | (R)-minalrestat | BMHZAHGTGIZZCT-LJQANCHMSA-N | spike glycoprotein |
| -9.2 | 6crv | DB02691 | Glycocholic acid | RFDAIACWWDREDC-FRVQLJSFSA-M | spike glycoprotein |
| -9.2 | 6crv | DB15407 | Acalisib | DOCINCLJNAXZQF-LBPRGKRZSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB09295 | Talniflumate | ANMLJLFWUCQGKZ-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w9q | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | nsp9 RNA-replicase |
| -9.2 | 6w4b | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | nsp9 |
| -9.2 | 6crv | DB02698 | N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid | NQOOJFXBGLOGTC-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB00224 | Indinavir | CBVCZFGXHXORBI-PXQQMZJSSA-N | spike glycoprotein |
| -9.2 | 6crv | DB00808 | Indapamide | NDDAHWYSQHTHNT-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB13649 | Proquazone | JTIGKVIOEQASGT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | ribose phosphatase of NSP3 |
| -9.2 | 7bv1 | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w9c | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | PL pro |
| -9.2 | 6cs2 | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxs | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m2n | DB13591 | Metopimazine | BQDBKDMTIJBJLA-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m2n | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | 3CL pro |
| -9.2 | 6crv | DB07268 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE | QHPKKGUGRGRSGA-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB09383 | Meprednisone | PIDANAQULIKBQS-RNUIGHNZSA-N | nucleocapsid protein |
| -9.2 | 6lzg | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6crv | DB03446 | N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide | FSMWGHKWKYCPKE-QTVCLEQKSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB06886 | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL | MACLRJNEKXUAJK-YDLSIGKMSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | PL pro |
| -9.2 | 6m3m | DB11692 | Pavinetant | QYTBBBAHNIWFOD-NRFANRHFSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB06883 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea | DHNYNLNKNQJSHF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB06827 | Viomycin | GXFAIFRPOKBQRV-GHXCTMGLSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | PL pro |
| -9.2 | 6vxs | DB15448 | Acumapimod | VGUSQKZDZHAAEE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB12724 | AZD-7295 | MAQDQJWCSSCURR-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB09231 | Benidipine | QZVNQOLPLYWLHQ-ZEQKJWHPSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB11742 | Ebastine | MJJALKDDGIKVBE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB07216 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE | ZMGCFGGMTCMSDP-QHCPKHFHSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB01336 | Metocurine | JFXBEKISTKFVAB-AJQTZOPKSA-N | PL pro |
| -9.2 | 6m3m | DB13230 | Gestonorone | GTFUITFQDGVJSK-XGXHKTLJSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB01339 | Vecuronium | BGSZAXLLHYERSY-XQIGCQGXSA-N | PL pro |
| -9.2 | 6m3m | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB13664 | Formocortal | QNXUUBBKHBYRFW-QWAPGEGQSA-N | spike glycoprotein |
| -9.2 | 6crv | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB05423 | ORG-34517 | DFELGYQKEOCHOA-BZAFBGKRSA-N | 3CL pro |
| -9.2 | 6m3m | DB08460 | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile | KXDIHAQCVNNLIB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m71 | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB06831 | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE | UMMYTDJYDSTEMB-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB03768 | N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3 | WRUVOSYKHXGAQN-GKRYNVPLSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB08305 | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | KQAGZLQCEURCKJ-QGZVFWFLSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | nsp16 - nsp10 |
| -9.2 | 6w9c | DB07435 | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | GFANZDFKCCJYRF-NSISKUIASA-N | PL pro |
| -9.2 | 6vxs | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | ribose phosphatase of NSP3 |
| -9.2 | 6cs2 | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 7bv1 | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB12812 | Palomid 529 | YEAHTLOYHVWAKW-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB01184 | Domperidone | FGXWKSZFVQUSTL-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB04960 | Tipifarnib | PLHJCIYEEKOWNM-HHHXNRCGSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB07270 | N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE | GAYYMURZGLJDCT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6crv | DB02507 | 4-Hydroxy-3-[(1s)-3-Oxo-1-Phenylbutyl]-2h-Chromen-2-One | PJVWKTKQMONHTI-HNNXBMFYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB02510 | '5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine | LKVJEMXWEODCAY-JVEUSOJLSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB13927 | anle138b | RCQIIBJSUWYYFU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m71 | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w9c | DB01234 | Dexamethasone | UREBDLICKHMUKA-CXSFZGCWSA-N | PL pro |
| -9.2 | 6crv | DB06845 | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide | WXYKSWZWRHMJTE-KRWDZBQOSA-N | spike glycoprotein |
| -9.2 | 6vxs | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 7bv1 | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6lxt | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | S2 unit |
| -9.2 | 6vxs | DB02259 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide | VSYGXLAJQDAWCZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m2n | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | 3CL pro |
| -9.2 | 6vxx | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB13952 | Estradiol acetate | FHXBMXJMKMWVRG-SLHNCBLASA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB15227 | Tirabrutinib | SEJLPXCPMNSRAM-GOSISDBHSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB06246 | Exisulind | MVGSNCBCUWPVDA-MFOYZWKCSA-N | spike glycoprotein |
| -9.2 | 6crv | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 7bv1 | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB09070 | Tibolone | WZDGZWOAQTVYBX-XOINTXKNSA-N | nucleocapsid protein |
| -9.2 | 6lxt | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6m2n | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m71 | DB02668 | Je-2147, Ag1776, Kni-764 | CUFQBQOBLVLKRF-RZDMPUFOSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w9c | DB04298 | 3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One | ZEBFKFGJWHOOST-LJAQVGFWSA-N | PL pro |
| -9.2 | 7bv1 | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6cs2 | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxs | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB12063 | CERC-301 | RECBFDWSXWAXHY-IAGOWNOFSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB14889 | Derazantinib | KPJDVVCDVBFRMU-AREMUKBSSA-N | 3CL pro |
| -9.2 | 6m2n | DB00620 | Triamcinolone | GFNANZIMVAIWHM-OBYCQNJPSA-N | 3CL pro |
| -9.2 | 6m3m | DB04891 | Becocalcidiol | QSLUXQQUPXBIHH-YHSKWIAJSA-N | nucleocapsid protein |
| -9.2 | 6cs2 | DB08539 | 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CCDIUVLNHCGSMH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB01514 | Furazabol | RGLLOUBXMOGLDQ-IVEVATEUSA-N | 3CL pro |
| -9.2 | 6m3m | DB09034 | Suvorexant | JYTNQNCOQXFQPK-MRXNPFEDSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB03523 | Brequinar | PHEZJEYUWHETKO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB14820 | Profoxydim | KRQUFUKTQHISJB-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB07698 | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine | JDNMRPIWJIDDAY-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB04022 | Guanosine-5',3'-Tetraphosphate | BUFLLCUFNHESEH-UUOKFMHZSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB11487 | Dexamethasone isonicotinate | BQTXJHAJMDGOFI-NJLPOHDGSA-N | S2 unit |
| -9.2 | 6cs2 | DB14914 | Flortaucipir F-18 | GETAAWDSFUCLBS-SJPDSGJFSA-N | ACE2 area for S-protein binding |
| -9.2 | 6w9c | DB04376 | 13-Acetylphorbol | SDSVJYOOAPRSDA-RPCQODIISA-N | PL pro |
| -9.2 | 6vxx | DB07874 | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | LQOCXPOKEPYGTJ-IBGZPJMESA-N | spike glycoprotein |
| -9.2 | 6m2n | DB01380 | Cortisone acetate | ITRJWOMZKQRYTA-RFZYENFJSA-N | 3CL pro |
| -9.2 | 6w9c | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | PL pro |
| -9.2 | 6w9q | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.2 | 6m2n | DB06837 | (2R)-N-4-hydroxy-2-(3-hydroxybenzyl)-N-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide | VXDKQRWTOJFQKH-BJZITVGISA-N | 3CL pro |
| -9.2 | 6vxx | DB07401 | METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE | WFDXOXNFNRHQEC-GHRIWEEISA-N | spike glycoprotein |
| -9.2 | 6m3m | DB05294 | Vandetanib | UHTHHESEBZOYNR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB03126 | Mant-Adp | QPKUEBLEGWBRHC-BFHYXJOUSA-N | PL pro |
| -9.2 | 6m2n | DB06581 | Bevirimat | YJEJKUQEXFSVCJ-WRFMNRASSA-N | 3CL pro |
| -9.2 | 6crv | DB13016 | LY-2300559 | DWQVYDLTPMGYNE-DEOSSOPVSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB09075 | Edoxaban | HGVDHZBSSITLCT-JLJPHGGASA-N | spike glycoprotein |
| -9.2 | 6crv | DB08591 | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | IGXKSKWHHHYBFM-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB02545 | Fexaramine | VLQTUNDJHLEFEQ-KGENOOAVSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m3m | DB08481 | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE | MXAPQGDBWFYKKX-ZROIWOOFSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB01148 | Flavoxate | SPIUTQOUKAMGCX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB07847 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE | ICLOZQFWTRAYPX-LIRRHRJNSA-N | 3CL pro |
| -9.2 | 6m3m | DB14218 | Telotristat | NCLGDOBQAWBXRA-PGRDOPGGSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB07973 | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | GIPCBGDQVGKMPO-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB09330 | Osimertinib | DUYJMQONPNNFPI-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w9c | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB14944 | Tarloxotinib | MUJMYVFVAWFUJL-SNAWJCMRSA-O | nucleocapsid protein |
| -9.2 | 6w9c | DB06159 | Rubitecan | VHXNKPBCCMUMSW-FQEVSTJZSA-N | PL pro |
| -9.2 | 6vxx | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB00894 | Testolactone | BPEWUONYVDABNZ-DZBHQSCQSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB02197 | 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide | NKORVPQBJCGYEC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6lxt | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6m2n | DB06629 | Zibotentan | FJHHZXWJVIEFGJ-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m3m | DB06228 | Rivaroxaban | KGFYHTZWPPHNLQ-AWEZNQCLSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB09371 | Norethynodrel | ICTXHFFSOAJUMG-SLHNCBLASA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB03141 | 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril | UYUWNNRWESUYOB-FIRIVFDPSA-N | PL pro |
| -9.2 | 6m3m | DB08487 | 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | PRMSFVUWLBPPLY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB15075 | 4-demethyl-4-cholesteryloxycarbonylpenclomedine | ZJUUIXYKTPSIOH-LEZJFEBPSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB08355 | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid | ZOBRPBVIEUWYJR-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6cs2 | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6cs2 | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB06144 | Sertindole | GZKLJWGUPQBVJQ-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB15132 | AZD-8165 | YUHNXUAATAMVKD-PZJWPPBQSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB01434 | 19-norandrostenedione | JRIZOGLBRPZBLQ-QXUSFIETSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB02917 | N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide | LFGYSFPVLMPUPE-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB06746 | ginkgolide-J | LMEHVEUFNRJAAV-UKWFQYJJSA-N | PL pro |
| -9.2 | 6m2n | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w9c | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | PL pro |
| -9.2 | 6vxx | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9q | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.2 | 6m2n | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w9c | DB02388 | Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | UQFRSHRWRKYNDE-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB05414 | Pipendoxifene | JICOGKJOQXTAIP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB13772 | Rufloxacin | NJCJBUHJQLFDSW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 7bv1 | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxs | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | PL pro |
| -9.2 | 7bv1 | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB06455 | Meclinertant | DYLJVOXRWLXDIG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB02915 | 4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine | MEZFDQUDLQCVNX-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB03696 | Lanosterol | CAHGCLMLTWQZNJ-BQNIITSRSA-N | PL pro |
| -9.2 | 6crv | DB03671 | 4-(3,12,14-Trihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | SHIBSTMRCDJXLN-KCZCNTNESA-N | spike glycoprotein |
| -9.2 | 6m71 | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB08556 | 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID | CMHHNHDPPWDNAH-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB14875 | AZD-4017 | NCDZABJPWMBMIQ-INIZCTEOSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB02830 | FR236913 | KCCUBLLGAMGDJL-HXUWFJFHSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | PL pro |
| -9.2 | 6lxt | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | S2 unit |
| -9.2 | 7bv1 | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB07678 | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL | ANAMDWGJXBYJEB-OPWFCKQNSA-N | spike glycoprotein |
| -9.2 | 6crv | DB14795 | AZD-3759 | MXDSJQHFFDGFDK-CYBMUJFWSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m3m | DB06440 | Ravuconazole | OPAHEYNNJWPQPX-RCDICMHDSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | 3CL pro |
| -9.2 | 6w9q | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.2 | 6m2n | DB09272 | Eluxadoline | QFNHIDANIVGXPE-FNZWTVRRSA-N | 3CL pro |
| -9.2 | 6vxs | DB06959 | (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine | BUCZDJYEOAQTHL-KEKNWZKVSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB06786 | Halcinonide | MUQNGPZZQDCDFT-JNQJZLCISA-N | PL pro |
| -9.2 | 6m2n | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | 3CL pro |
| -9.2 | 6m2n | DB06876 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | YJWJKKXGAPWLGT-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB03081 | Crc200 (Chiron-Behring) | ZOXOKTJHZSUHRJ-XZOQPEGZSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | PL pro |
| -9.2 | 6m2n | DB09223 | Blonanserin | XVGOZDAJGBALKS-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6lzg | DB07530 | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol | PCHUQQNKOFNVDU-OSXMSNBXSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m3m | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB03383 | 5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide | YDCGVASFVACWKF-NRFANRHFSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | spike glycoprotein |
| -9.2 | 6crv | DB12479 | Zabofloxacin | ZNPOCLHDJCAZAH-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB08931 | Riociguat | WXXSNCNJFUAIDG-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 7bv1 | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w9c | DB06578 | Tonabersat | XLIIRNOPGJTBJD-ROUUACIJSA-N | PL pro |
| -9.2 | 6w9c | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB01208 | Sparfloxacin | DZZWHBIBMUVIIW-DTORHVGOSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB12972 | Sepranolone | AURFZBICLPNKBZ-FZCSVUEKSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB08549 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | MFDBNNQUDZFSES-KRWDZBQOSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB13586 | Metandienone | XWALNWXLMVGSFR-HLXURNFRSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m71 | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6lxt | DB15269 | ALK-4290 | DWKNOLCXIFYNFV-HSZRJFAPSA-N | S2 unit |
| -9.2 | 6w9c | DB02698 | N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid | NQOOJFXBGLOGTC-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w4h | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6vxx | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB09233 | Cronidipine | CNIJVNPIIHWRRP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB06454 | Sarizotan | HKFMQJUJWSFOLY-OAQYLSRUSA-N | PL pro |
| -9.2 | 6crv | DB07237 | {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone | VUWFJUJWAWMRQN-HXUWFJFHSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB06710 | Methyltestosterone | GCKMFJBGXUYNAG-HLXURNFRSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | PL pro |
| -9.2 | 6vxx | DB04862 | Merimepodib | JBPUGFODGPKTDW-SFHVURJKSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | nsp16 - nsp10 |
| -9.2 | 6m2n | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m2n | DB14845 | Filgotinib | RIJLVEAXPNLDTC-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB01669 | Virginiamycin M1 | DAIKHDNSXMZDCU-FQTGFAPKSA-N | 3CL pro |
| -9.2 | 7bv1 | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB06744 | ginkgolide-B | SQOJOAFXDQDRGF-MMQTXUMRSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | PL pro |
| -9.2 | 6m2n | DB12426 | Bitopertin | YUUGYIUSCYNSQR-LBPRGKRZSA-N | 3CL pro |
| -9.2 | 6m3m | DB08912 | Dabrafenib | BFSMGDJOXZAERB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | nsp16 - nsp10 |
| -9.2 | 6vxx | DB11692 | Pavinetant | QYTBBBAHNIWFOD-NRFANRHFSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB13766 | Lidoflazine | ZBIAKUMOEKILTF-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6vxx | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB08057 | N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine | VWJPPYCULHDHBB-HNNXBMFYSA-N | 3CL pro |
| -9.2 | 6m3m | DB03262 | Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | PZLYYZPXSSNGJS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB12122 | Figopitant | HUTHJVYJUPXHDF-DEOSSOPVSA-N | spike glycoprotein |
| -9.2 | 6crv | DB14640 | Isoflupredone acetate | ZOCUOMKMBMEYQV-GSLJADNHSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | PL pro |
| -9.2 | 6crv | DB08054 | 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | GEZALMMCQYDFML-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB07934 | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | KMUXFASJKPVMGU-HXUWFJFHSA-O | spike glycoprotein |
| -9.2 | 6cs2 | DB03865 | 6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine | FEKRWNWZMOSVBX-UHFFFAOYSA-O | ACE2 area for S-protein binding |
| -9.2 | 6m3m | DB06831 | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE | UMMYTDJYDSTEMB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB08903 | Bedaquiline | QUIJNHUBAXPXFS-XLJNKUFUSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB08613 | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL | OFBFUNBBOQCNFX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB08976 | Floctafenine | APQPGQGAWABJLN-GFCCVEGCSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB01530 | 5alpha-androstane-3alpha,17beta-diol | CBMYJHIOYJEBSB-KHOSGYARSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6lxt | DB12306 | Cipargamin | CKLPLPZSUQEDRT-WPCRTTGESA-N | S2 unit |
| -9.2 | 6w4h | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB00266 | Dicoumarol | DOBMPNYZJYQDGZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxs | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6cs2 | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6crv | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w4h | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB08639 | Dapivirine | ILAYIAGXTHKHNT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m3m | DB06809 | Plerixafor | YIQPUIGJQJDJOS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB13242 | Bucladesine | CJGYSWNGNKCJSB-YVLZZHOMSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB15450 | PF-05105679 | BXNMZRPTQFVRFA-QGZVFWFLSA-N | 3CL pro |
| -9.2 | 6crv | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB04042 | 2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol | XLJNZONSWKENRP-VABIIVNOSA-N | S2 unit |
| -9.2 | 6m2n | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w9c | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | PL pro |
| -9.2 | 6crv | DB06645 | Anamorelin | VQPFSIRUEPQQPP-MXBOTTGLSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB05706 | 13-deoxydoxorubicin | RGVRUQHYQSORBY-JIGXQNLBSA-N | 3CL pro |
| -9.2 | 6w4b | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | nsp9 |
| -9.2 | 6cs2 | DB03476 | Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine | NQRIWXVAIWPBEM-OALUTQOASA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB15393 | Telatinib | QFCXANHHBCGMAS-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB04628 | Allosamidin | MDWNFWDBQGOKNZ-XYUDZHFQSA-N | PL pro |
| -9.2 | 6crv | DB06919 | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide | CJHLRGCXPGIPCB-MOPGFXCFSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB08881 | Vemurafenib | GPXBXXGIAQBQNI-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m3m | DB00717 | Norethisterone | VIKNJXKGJWUCNN-XGXHKTLJSA-N | nucleocapsid protein |
| -9.2 | 6cs2 | DB12494 | SGI-1776 | MHXGEROHKGDZGO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxx | DB13114 | Amitriptylinoxide | ZPMKQFOGINQDAM-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6lzg | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6crv | DB08975 | Florantyrone | QOBAOSCOLAGPKI-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB07941 | PH-797804 | KCAJXIDMCNPGHZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB06652 | Vicriviroc | CNPVJJQCETWNEU-CYFREDJKSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB15391 | Elenbecestat | AACUJFVOHGRMTR-DPXNYUHVSA-N | 3CL pro |
| -9.2 | 6m71 | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | nsp16 - nsp10 |
| -9.2 | 6w4h | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | nsp16 - nsp10 |
| -9.2 | 6vxs | DB04861 | Nebivolol | KOHIRBRYDXPAMZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB05414 | Pipendoxifene | JICOGKJOQXTAIP-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m71 | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB15358 | JNJ-54175446 | CWFVVQFVGMFTBD-SECBINFHSA-N | 3CL pro |
| -9.2 | 6m71 | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6lxt | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6vxx | DB14569 | Tedizolid | XFALPSLJIHVRKE-GFCCVEGCSA-N | spike glycoprotein |
| -9.2 | 6crv | DB07933 | Erteberel | XIESSJVMWNJCGZ-VKJFTORMSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxx | DB11703 | Acalabrutinib | WDENQIQQYWYTPO-IBGZPJMESA-N | spike glycoprotein |
| -9.2 | 6crv | DB00287 | Travoprost | MKPLKVHSHYCHOC-AHTXBMBWSA-N | spike glycoprotein |
| -9.2 | 6w9q | DB12806 | GSK-1004723 | YANGEESWIGIKOP-UUWRZZSWSA-N | nsp9 RNA-replicase |
| -9.2 | 6crv | DB07834 | N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | FOHZGCHKLPIBBX-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB08073 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | YWTBGJGMTBHQTM-IBGZPJMESA-N | 3CL pro |
| -9.2 | 6vxx | DB06420 | Annamycin | CIDNKDMVSINJCG-GKXONYSUSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB14761 | Remdesivir | RWWYLEGWBNMMLJ-YSOARWBDSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB07974 | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE | BDLMBQRBNPDCSS-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w9c | DB06916 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE | LBCGUKCXRVUULK-QGZVFWFLSA-N | PL pro |
| -9.2 | 6crv | DB13451 | Tioclomarol | WRGOVNKNTPWHLZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB14657 | Paramethasone acetate | HYRKAAMZBDSJFJ-LFDBJOOHSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | 3CL pro |
| -9.2 | 6vxs | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB06897 | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol | MMGKIHLBFPJYJL-HNNXBMFYSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxx | DB06429 | Talnetant | BIAVGWDGIJKWRM-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxs | DB09233 | Cronidipine | CNIJVNPIIHWRRP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | PL pro |
| -9.2 | 6crv | DB07729 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | GAKOBKPDJJGRIL-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | spike glycoprotein |
| -9.2 | 6m3m | DB00728 | Rocuronium | YXRDKMPIGHSVRX-OOJCLDBCSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB13470 | Cefodizime | XDZKBRJLTGRPSS-BGZQYGJUSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | 3CL pro |
| -9.2 | 6m3m | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB08956 | Hydroxydione | USPYDUPOCUYHQL-VEVMSBRDSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB08026 | 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide | AJLILYAPRHIFAS-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB13685 | Quingestanol | PCJFRMOEZQQSAX-AIOSZGMZSA-N | 3CL pro |
| -9.2 | 6m71 | DB04872 | Osanetant | DZOJBGLFWINFBF-UMSFTDKQSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB15056 | Bifenthrin | OMFRMAHOUUJSGP-IRHGGOMRSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB05423 | ORG-34517 | DFELGYQKEOCHOA-BZAFBGKRSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB15126 | IMG-7289 | KQKBMHGOHXOHTD-KKUQBAQOSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | PL pro |
| -9.2 | 6w9q | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | nsp9 RNA-replicase |
| -9.2 | 6m2n | DB05983 | Bardoxolone methyl | WPTTVJLTNAWYAO-KPOXMGGZSA-N | 3CL pro |
| -9.2 | 6m2n | DB14761 | Remdesivir | RWWYLEGWBNMMLJ-YSOARWBDSA-N | 3CL pro |
| -9.2 | 6vxx | DB15121 | AT-001 | YRGPAXAVTDMKDK-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w4b | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | nsp9 |
| -9.2 | 6w9c | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | PL pro |
| -9.2 | 6crv | DB02789 | Pregnenolone | ORNBQBCIOKFOEO-QGVNFLHTSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB00590 | Doxazosin | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB08444 | 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile | YYGZQXRLQMFHDH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB11814 | PF-03882845 | XNULRSOGWPFPBL-REWPJTCUSA-N | S2 unit |
| -9.2 | 6vxx | DB01261 | Sitagliptin | MFFMDFFZMYYVKS-SECBINFHSA-N | spike glycoprotein |
| -9.2 | 6crv | DB05552 | TG100-115 | UJIAQDJKSXQLIT-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxs | DB07630 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-IAGOWNOFSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB01858 | [1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate | QTPYRNAKLBXKNP-SFHVURJKSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB08496 | (R)-warfarin | PJVWKTKQMONHTI-HNNXBMFYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxs | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w4h | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | nsp16 - nsp10 |
| -9.2 | 6m2n | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w4h | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB07831 | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | SHSORWZDEKFFLP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB09095 | Difluocortolone | OGPWIDANBSLJPC-RFPWEZLHSA-N | PL pro |
| -9.2 | 6m3m | DB07337 | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | SOKOHDQTKSROQZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6lxt | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | S2 unit |
| -9.2 | 6lzg | DB05611 | Apilimod | HSKAZIJJKRAJAV-KOEQRZSOSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m3m | DB02929 | K201 | KCWGETCFOVJEPI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB08184 | 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE | YOZKTHGEOJHIDP-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB03476 | Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine | NQRIWXVAIWPBEM-OALUTQOASA-N | spike glycoprotein |
| -9.2 | 6crv | DB04664 | Cyclohexyl-pentyl-maltoside | RVTGFZGNOSKUDA-ZNGNCRBCSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB09034 | Suvorexant | JYTNQNCOQXFQPK-MRXNPFEDSA-N | PL pro |
| -9.2 | 6crv | DB07156 | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione | JFEKAVPMVOLVTH-UNOMPAQXSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB08154 | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile | WHCLIFOVZDANCU-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m2n | DB03903 | Tmr | KGFLZYXDJDOIEE-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB04575 | Quinestrol | PWZUUYSISTUNDW-VAFBSOEGSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB14894 | Galicaftor | QVDYQHXNAQHIKH-TZIWHRDSSA-N | S2 unit |
| -9.2 | 6lzg | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6crv | DB11943 | Delafloxacin | DYDCPNMLZGFQTM-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB03925 | Freselestat | HMPQTEPEMQZWQH-QZTJIDSGSA-N | 3CL pro |
| -9.2 | 6vxx | DB12115 | AZD-9164 | FNYFFCOCVNTJCD-NNMXADRKSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB09181 | Trefentanil | RJSCINHYBGMIFT-UHFFFAOYSA-N | PL pro |
| -9.2 | 6vxs | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6wiq | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | nsp7-nsp8 |
| -9.2 | 6crv | DB04750 | OREGON GREEN 488 CARBOXYLATE | BRJCLSQFZSHLRL-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9q | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | nsp9 RNA-replicase |
| -9.2 | 6vxx | DB12308 | Eltanolone | AURFZBICLPNKBZ-YZRLXODZSA-N | spike glycoprotein |
| -9.2 | 6lzg | DB11745 | Otenabant | UNAZAADNBYXMIV-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m2n | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxs | DB03797 | 3-Aminomethyl-Pyridinium-Adenine-Dinucleotide | HMCRLFVYYFBZEZ-PLEFRAQWSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6vxx | DB12141 | Gilteritinib | GYQYAJJFPNQOOW-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB08126 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | DMCRNUMVSATRTP-LCYFTJDESA-N | spike glycoprotein |
| -9.2 | 6m2n | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB07489 | 4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium | WWGPTHOMFHDEEC-UHFFFAOYSA-O | spike glycoprotein |
| -9.2 | 6m2n | DB04030 | 1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole | ADXYEWMDAGIULV-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6lxt | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | S2 unit |
| -9.2 | 6w4h | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | nsp16 - nsp10 |
| -9.2 | 6m2n | DB11712 | Tezacaftor | MJUVRTYWUMPBTR-MRXNPFEDSA-N | 3CL pro |
| -9.2 | 6m71 | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w9c | DB13506 | Carfecillin | NZDASSHFKWDBBU-KVMCETHSSA-N | PL pro |
| -9.2 | 6w9c | DB13528 | Chlormadinone | VUHJZBBCZGVNDZ-TTYLFXKOSA-N | PL pro |
| -9.2 | 6m3m | DB07359 | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide | SJTQKYKXCYVFHX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6lxt | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6crv | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB08997 | Dexetimide | LQQIVYSCPWCSSD-HSZRJFAPSA-N | 3CL pro |
| -9.2 | 6m3m | DB07812 | N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide | TWYNGDRSMHRPSY-MRXNPFEDSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB13941 | Piperaquine | UCRHFBCYFMIWHC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6m71 | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB08656 | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide | UVERBUNNCOKGNZ-CQSZACIVSA-N | 3CL pro |
| -9.2 | 6w9c | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | PL pro |
| -9.2 | 6vxx | DB01767 | Hemi-Babim | KKJYVDXDZURHMA-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB01393 | Bezafibrate | IIBYAHWJQTYFKB-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | spike glycoprotein |
| -9.2 | 6crv | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12218 | AZD-5363 | JDUBGYFRJFOXQC-KRWDZBQOSA-N | nucleocapsid protein |
| -9.2 | 6cs2 | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m3m | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6lzg | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6crv | DB08500 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | ZCJBDRSKHARECB-PYTCMNEWSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12113 | CE-224535 | FUCKCIVGBCBZNP-MRXNPFEDSA-N | nucleocapsid protein |
| -9.2 | 6m71 | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | nsp16 - nsp10 |
| -9.2 | 6lxt | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | S2 unit |
| -9.2 | 6crv | DB08166 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | LPFQFJAOMCGYCP-GFCCVEGCSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | S2 unit |
| -9.2 | 6m3m | DB12116 | Epigallocatechin gallate | WMBWREPUVVBILR-WIYYLYMNSA-N | nucleocapsid protein |
| -9.2 | 6lxt | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | S2 unit |
| -9.2 | 6m3m | DB00457 | Prazosin | IENZQIKPVFGBNW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB04612 | N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | QKPXPZYQPBWDHS-MCJAPYMPSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6cs2 | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m3m | DB04849 | Cediranib | XXJWYDDUDKYVKI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6cs2 | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6lzg | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6w4h | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB12095 | Telotristat ethyl | MDSQOJYHHZBZKA-GBXCKJPGSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB07238 | Nesbuvir | WTDWVLJJJOTABN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB08588 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | OYNURZXTLNNKAP-QGZVFWFLSA-N | PL pro |
| -9.2 | 6lxt | DB14555 | Ursadiol | RTLXJEJRLWILSU-GWNGJUQLSA-N | S2 unit |
| -9.2 | 7bv1 | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB01260 | Desonide | WBGKWQHBNHJJPZ-LECWWXJVSA-N | 3CL pro |
| -9.2 | 6w9c | DB08607 | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | GXPHKUHSUJUWKP-NTKDMRAZSA-N | PL pro |
| -9.2 | 6vxs | DB15046 | LY-2881835 | FHRWHNJJQGSCQC-LJAQVGFWSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB15003 | PF-06700841 | BUWBRTXGQRBBHG-MJBXVCDLSA-N | spike glycoprotein |
| -9.2 | 6crv | DB08159 | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE | AHIJTWCJGCWHMT-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | 3CL pro |
| -9.2 | 6vxx | DB09003 | Clocapramine | QAZKXHSIKKNOHH-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | nsp16 - nsp10 |
| -9.2 | 6m71 | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | spike glycoprotein |
| -9.2 | 6m2n | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | 3CL pro |
| -9.2 | 6m3m | DB15206 | Uprifosbuvir | SFPFZQKYPOWCSI-KHFYHRBSSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB13954 | Estradiol cypionate | UOACKFBJUYNSLK-XRKIENNPSA-N | PL pro |
| -9.2 | 6cs2 | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | 3CL pro |
| -9.2 | 6lzg | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6lzg | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m3m | DB07856 | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE | HPWBHQIUIBFTQC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6cs2 | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6w4h | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6vxx | DB01338 | Pipecuronium | OWWLUIWOFHMHOQ-XGHATYIMSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6lxt | DB15173 | JNJ-42165279 | YWGYNGCRVZLMCS-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6m3m | DB12685 | K-134 | ULGNGSQNNMKROG-WOJBJXKFSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB08883 | Perampanel | PRMWGUBFXWROHD-UHFFFAOYSA-N | PL pro |
| -9.2 | 6lxt | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6m2n | DB14716 | Clonazolam | XJRGLCAWBRZUFC-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6cs2 | DB00673 | Aprepitant | ATALOFNDEOCMKK-OITMNORJSA-N | ACE2 area for S-protein binding |
| -9.2 | 6crv | DB07583 | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE | RLNNFNGBXLTQOB-RBUKOAKNSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB12929 | JNJ-39220675 | IQOWHZHNGJXGHG-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB01339 | Vecuronium | BGSZAXLLHYERSY-XQIGCQGXSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB01061 | Azlocillin | JTWOMNBEOCYFNV-NFFDBFGFSA-N | 3CL pro |
| -9.2 | 6w9c | DB14066 | Tetrandrine | WVTKBKWTSCPRNU-KYJUHHDHSA-N | PL pro |
| -9.2 | 6crv | DB12375 | Oglemilast | OKFDRAHPFKMAJH-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB04839 | Cyproterone acetate | UWFYSQMTEOIJJG-FDTZYFLXSA-N | nucleocapsid protein |
| -9.2 | 6lxt | DB05983 | Bardoxolone methyl | WPTTVJLTNAWYAO-KPOXMGGZSA-N | S2 unit |
| -9.2 | 6vxs | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | ribose phosphatase of NSP3 |
| -9.2 | 6vxx | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | nsp12-nsp7-nsp8 |
| -9.2 | 6vxs | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w4h | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6cs2 | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 7bv1 | DB08138 | {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | BDRDBXXWQDFXEC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m3m | DB12479 | Zabofloxacin | ZNPOCLHDJCAZAH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6cs2 | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxx | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12322 | GW-870086 | WUBKGTSFJSEIEM-NSHBDUGJSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB07274 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide | ZATGFXTWDKIEKC-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB08736 | S,R-Warfarin alcohol | ZUJMMGHIYSAEOU-DOMZBBRYSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6m3m | DB12332 | Rucaparib | HMABYWSNWIZPAG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB05095 | Cimicoxib | KYXDNECMRLFQMZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB11912 | Lanopepden | SWHNZGMQMGFQGW-MSOLQXFVSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | PL pro |
| -9.2 | 6crv | DB01540 | 17alpha-methyl-4-hydroxynandrolone | CLNUZOCYKSHICX-FAHHUNKHSA-N | spike glycoprotein |
| -9.2 | 6crv | DB07544 | N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE | ZLQBZYKAQQWOTK-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | PL pro |
| -9.2 | 6m3m | DB06157 | Istaroxime | MPYLDWFDPHRTEG-PAAYLBSLSA-N | nucleocapsid protein |
| -9.2 | 6lxt | DB08822 | Azilsartan medoxomil | QJFSABGVXDWMIW-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6crv | DB05137 | Lobeline | MXYUKLILVYORSK-HBMCJLEFSA-N | spike glycoprotein |
| -9.2 | 6vxs | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6vxx | DB12375 | Oglemilast | OKFDRAHPFKMAJH-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB15075 | 4-demethyl-4-cholesteryloxycarbonylpenclomedine | ZJUUIXYKTPSIOH-LEZJFEBPSA-N | 3CL pro |
| -9.2 | 6vxx | DB08150 | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium | RZIDZIGAXXNODG-UHFFFAOYSA-O | spike glycoprotein |
| -9.2 | 6w9c | DB12724 | AZD-7295 | MAQDQJWCSSCURR-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m2n | DB07409 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | MPBUFKZCEBTBSK-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6cs2 | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6w9c | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | PL pro |
| -9.2 | 6vxx | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | spike glycoprotein |
| -9.2 | 6vxs | DB04238 | N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid | GNANSBQAIRJZPA-XZOQPEGZSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m3m | DB07624 | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide | YJFULAYRAKPBCY-DYVFJYSZSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | PL pro |
| -9.2 | 6vxx | DB15282 | Fluorofuranylnorprogesterone F-18 | VJKRBRUNEOHPBS-JQKUZGBFSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB12260 | Radiprodil | GKGRZLGAQZPEHO-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB04338 | SB220025 | VSPFURGQAYMVAN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6w9c | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | PL pro |
| -9.2 | 6crv | DB14914 | Flortaucipir F-18 | GETAAWDSFUCLBS-SJPDSGJFSA-N | spike glycoprotein |
| -9.2 | 6crv | DB13119 | GSK-364735 | QWLNINWUBHHOLU-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB15295 | Tenalisib | HDXDQPRPFRKGKZ-INIZCTEOSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB13857 | Demegestone | JWAHBTQSSMYISL-MHTWAQMVSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB14660 | Trenbolone acetate | CMRJPMODSSEAPL-FYQPLNBISA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB00319 | Piperacillin | IVBHGBMCVLDMKU-GXNBUGAJSA-N | 3CL pro |
| -9.2 | 6vxx | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxx | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | spike glycoprotein |
| -9.2 | 6m3m | DB07538 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE | RGVVHQNJKUNSFQ-WDZFZDKYSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6w9c | DB12562 | Setipiprant | IHAXLPDVOWLUOS-UHFFFAOYSA-N | PL pro |
| -9.2 | 6lxt | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | S2 unit |
| -9.2 | 6m3m | DB14659 | Melengestrol acetate | UDKABVSQKJNZBH-DWNQPYOZSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB07557 | (5BETA)-PREGNANE-3,20-DIONE | XMRPGKVKISIQBV-XWOJZHJZSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w9c | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m2n | DB14646 | Prednisone acetate | MOVRKLZUVNCBIP-RFZYENFJSA-N | 3CL pro |
| -9.2 | 6vxx | DB07257 | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione | WHMQZCPGFZBLBG-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB07128 | N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE | ZTYBIJUAAWLJNU-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6lzg | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6vxs | DB07830 | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE | DIRIFWIKLRTNMB-DYVFJYSZSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB12622 | Lupeol | MQYXUWHLBZFQQO-QGTGJCAVSA-N | PL pro |
| -9.2 | 6cs2 | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB01184 | Domperidone | FGXWKSZFVQUSTL-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB15295 | Tenalisib | HDXDQPRPFRKGKZ-INIZCTEOSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB11725 | Latrepirdine | JNODQFNWMXFMEV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6lzg | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6lzg | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6crv | DB05015 | Belinostat | NCNRHFGMJRPRSK-MDZDMXLPSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | S2 unit |
| -9.2 | 6lxt | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | S2 unit |
| -9.2 | 6crv | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m2n | DB13766 | Lidoflazine | ZBIAKUMOEKILTF-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 7bv1 | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w9c | DB11745 | Otenabant | UNAZAADNBYXMIV-UHFFFAOYSA-N | PL pro |
| -9.2 | 6vxs | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6vxs | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6vxx | DB11892 | Prulifloxacin | PWNMXPDKBYZCOO-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB14937 | MK-8666 | CODQKEMYZZKQAE-QPVYNBJUSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB01479 | BA-2664 | QGKQXZFZOIQFBI-XSWYFRFISA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB01496 | Barbituric acid derivative | DNZPLHRZXUJATK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB12290 | Puerarin | HKEAFJYKMMKDOR-VPRICQMDSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB08878 | Aminopterin | TVZGACDUOSZQKY-LBPRGKRZSA-N | spike glycoprotein |
| -9.2 | 6wiq | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | nsp7-nsp8 |
| -9.2 | 6w4h | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | nsp16 - nsp10 |
| -9.2 | 6w9c | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | PL pro |
| -9.2 | 6vxs | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6cs2 | DB03596 | N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide | FSRPBGBMEKDSIJ-CYBMUJFWSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxs | DB07717 | (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | AJODXHGZHBERGJ-JLYQOUBASA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m2n | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxs | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | ribose phosphatase of NSP3 |
| -9.2 | 6lzg | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m3m | DB07756 | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL | GPBGHVRNVGXPNM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB03893 | Thionicotinamide-Adenine-Dinucleotide | UQYPZLRUJKCREN-NNYOXOHSSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6vxs | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m71 | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6lzg | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6w4h | DB03186 | U-Pi-a-Pi | JIAJERGOUFOENU-LNAOLWRRSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB12268 | Carmegliptin | GUYMHFIHHOEFOA-ZCPGHIKRSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB04824 | Phenolphthalein | KJFMBFZCATUALV-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB07544 | N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE | ZLQBZYKAQQWOTK-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | ACE2 area for S-protein binding |
| -9.2 | 6crv | DB05294 | Vandetanib | UHTHHESEBZOYNR-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB00310 | Chlorthalidone | JIVPVXMEBJLZRO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6lxt | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | S2 unit |
| -9.2 | 6w9c | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB11910 | MK-0249 | DDDZBLNULGDPGA-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m2n | DB14649 | Dexamethasone acetate | AKUJBENLRBOFTD-RPRRAYFGSA-N | 3CL pro |
| -9.2 | 6m2n | DB01212 | Ceftriaxone | VAAUVRVFOQPIGI-SPQHTLEESA-N | 3CL pro |
| -9.2 | 6w9c | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | PL pro |
| -9.2 | 6vxx | DB12385 | 10-hydroxycamptothecin | HAWSQZCWOQZXHI-FQEVSTJZSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB07468 | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | NJBBBRZNBVLTRZ-GOSISDBHSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB07469 | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | KAJFGRLMKVNMLH-GOSISDBHSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB12303 | Motolimod | QSPOQCXMGPDIHI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m71 | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB07653 | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE | VXTCEUDVOCLEJG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m2n | DB04107 | [(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester | RNOYCNIZOAIUSV-LSWMGQQCSA-N | 3CL pro |
| -9.2 | 6m3m | DB02901 | Stanolone | NVKAWKQGWWIWPM-ABEVXSGRSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB01493 | Ethylestrenol | AOXRBFRFYPMWLR-XGXHKTLJSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | PL pro |
| -9.2 | 6w9c | DB13003 | Cortivazol | RKHQGWMMUURILY-UHRZLXHJSA-N | PL pro |
| -9.2 | 6m2n | DB13631 | Methoserpidine | ULBNWNUHGJLQHO-VKMIBBQISA-N | 3CL pro |
| -9.2 | 6m3m | DB07685 | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | NMAZGYDYIYLSLJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB12547 | LY-2886721 | NIDRNVHMMDAAIK-YPMLDQLKSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB03041 | UDP-alpha-D-glucuronic acid | HDYANYHVCAPMJV-LXQIFKJMSA-N | spike glycoprotein |
| -9.2 | 6crv | DB01496 | Barbituric acid derivative | DNZPLHRZXUJATK-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB03916 | 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine | RHOOHUMOHVIXEF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB11867 | JNJ-39393406 | IURMHZBQEYNQOH-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w4h | DB05465 | Tandutinib | UXXQOJXBIDBUAC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6w9c | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | PL pro |
| -9.2 | 6m2n | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB04609 | INHIBITOR Q8467 OF DUPONT MERCK | HFLCERPZYCWLSZ-VKONIRKNSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12073 | Albaconazole | UHIXWHUVLCAJQL-MPBGBICISA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | nsp16 - nsp10 |
| -9.2 | 6w9c | DB14769 | Pamiparib | DENYZIUJOTUUNY-MRXNPFEDSA-N | PL pro |
| -9.2 | 6lzg | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m71 | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m71 | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 7bv1 | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB04216 | Quercetin | REFJWTPEDVJJIY-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB07792 | (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | VUKPNWLGSLOHIF-AWEZNQCLSA-N | 3CL pro |
| -9.2 | 6vxs | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6vxs | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | PL pro |
| -9.2 | 6w9c | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | PL pro |
| -9.2 | 6vxs | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m3m | DB02698 | N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid | NQOOJFXBGLOGTC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB14795 | AZD-3759 | MXDSJQHFFDGFDK-CYBMUJFWSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m2n | DB03397 | Uridine-Diphosphate-N-Acetylglucosamine | LFTYTUAZOPRMMI-CFRASDGPSA-N | 3CL pro |
| -9.2 | 6crv | DB01030 | Topotecan | UCFGDBYHRUNTLO-QHCPKHFHSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB11979 | Elagolix | HEAUOKZIVMZVQL-VWLOTQADSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxx | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB08833 | Taurochenodeoxycholic acid | BHTRKEVKTKCXOH-BJLOMENOSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB08301 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE | HDCXQTPVTAIPNZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | 3CL pro |
| -9.2 | 6vxx | DB08613 | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL | OFBFUNBBOQCNFX-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB07067 | (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE | SQCDMTZMCHZYGO-FZMZJTMJSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB11885 | Anlotinib | KSMZEXLVHXZPEF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB12885 | CF-102 | IPSYPUKKXMNCNQ-PFHKOEEOSA-N | 3CL pro |
| -9.2 | 6vxx | DB12743 | Z-160 | VCPMZDWBEWTGNW-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB03222 | dATP | SUYVUBYJARFZHO-RRKCRQDMSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | 3CL pro |
| -9.2 | 6m3m | DB08240 | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE | RQAQWBFHPMSXKR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w9c | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB15124 | PF-05241328 | RVTSXVZXEGFIPW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB00528 | Lercanidipine | ZDXUKAKRHYTAKV-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB04238 | N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid | GNANSBQAIRJZPA-XZOQPEGZSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12998 | PF-00217830 | QGNOXTFZOLDODX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB07812 | N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide | TWYNGDRSMHRPSY-MRXNPFEDSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB13528 | Chlormadinone | VUHJZBBCZGVNDZ-TTYLFXKOSA-N | spike glycoprotein |
| -9.2 | 6crv | DB11371 | Alfaxalone | DUHUCHOQIDJXAT-OLVMNOGESA-N | spike glycoprotein |
| -9.2 | 6vxx | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m2n | DB07175 | N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide | CXQRKICWSCAUGW-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m3m | DB12985 | Quisinostat | PAWIYAYFNXQGAP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB04177 | 4-(3,14-Dihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | XZTUSOXSLKTKJQ-CESUGQOBSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6cs2 | DB07831 | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | SHSORWZDEKFFLP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6lxt | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6vxx | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB05913 | OSI-930 | FGTCROZDHDSNIO-UHFFFAOYSA-N | PL pro |
| -9.2 | 6crv | DB06266 | Lonidamine | WDRYRZXSPDWGEB-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB02703 | Fusidic acid | IECPWNUMDGFDKC-MZJAQBGESA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB11871 | PF-00610355 | YPHDIMUXXABSSO-YTTGMZPUSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB03797 | 3-Aminomethyl-Pyridinium-Adenine-Dinucleotide | HMCRLFVYYFBZEZ-PLEFRAQWSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB07974 | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE | BDLMBQRBNPDCSS-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m2n | DB14917 | Ceralasertib | DTTJKLNXNZAVSM-JYCIKRDWSA-N | 3CL pro |
| -9.2 | 6vxx | DB07141 | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | QVXYJVHNRPNRJL-HNNXBMFYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB13016 | LY-2300559 | DWQVYDLTPMGYNE-DEOSSOPVSA-N | nucleocapsid protein |
| -9.2 | 6m71 | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB11910 | MK-0249 | DDDZBLNULGDPGA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB03461 | 2'-Monophosphoadenosine 5'-Diphosphoribose | XJLXINKUBYWONI-NNYOXOHSSA-N | 3CL pro |
| -9.2 | 6w9c | DB07982 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol | PVTKDXZNSUHUMO-UHFFFAOYSA-N | PL pro |
| -9.2 | 6crv | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB07786 | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | SMFRBBHLVBWHGB-DJJJIMSYSA-N | 3CL pro |
| -9.2 | 6vxs | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 7bv1 | DB14879 | Cefiderocol | DBPPRLRVDVJOCL-FQRUVTKNSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | S2 unit |
| -9.2 | 7bv1 | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6cs2 | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6crv | DB06370 | Indisulam | SETFNECMODOHTO-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB11892 | Prulifloxacin | PWNMXPDKBYZCOO-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 7bv1 | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w9c | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | PL pro |
| -9.2 | 6w9c | DB15191 | MAX-40279 | AVIOBQFPAGEICQ-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w9c | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | PL pro |
| -9.2 | 6m71 | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | nsp16 - nsp10 |
| -9.2 | 7bv1 | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4b | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | nsp9 |
| -9.2 | 6cs2 | DB00522 | Bentiromide | SPPTWHFVYKCNNK-FQEVSTJZSA-N | ACE2 area for S-protein binding |
| -9.2 | 6crv | DB12279 | OBP-801 | XFLBOEMFLGLWFF-HDXRNPEWSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB15157 | Voruciclib | MRPGRAKIAJJGMM-OCCSQVGLSA-N | PL pro |
| -9.2 | 6m2n | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | OWXORKPNCHJYOF-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m71 | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB09076 | Umeclidinium | FVTWTVQXNAJTQP-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB11844 | Pritelivir | IVZKZONQVYTCKC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB15033 | Flortaucipir | GETAAWDSFUCLBS-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6lxt | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6w9c | DB15281 | Ravoxertinib | RZUOCXOYPYGSKL-GOSISDBHSA-N | PL pro |
| -9.2 | 6m3m | DB15114 | Vamorolone | ZYTXTXAMMDTYDQ-DGEXFFLYSA-N | nucleocapsid protein |
| -9.2 | 6w9q | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | nsp9 RNA-replicase |
| -9.2 | 6crv | DB04086 | 2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside | WFVCNOHOODVBQK-IUBYCILNSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB15219 | Tomivosertib | HKTBYUWLRDZAJK-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w9c | DB07568 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE | ADRNPUSZBRQDBG-KRWDZBQOSA-N | PL pro |
| -9.2 | 6lzg | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m3m | DB03751 | 2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose | YSYKRGRSMLTJNL-URARBOGNSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB13164 | Olmutinib | FDMQDKQUTRLUBU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w9c | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB04131 | 10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione | BLGDWFJQIHBUJY-NWJGULHDSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB01047 | Fluocinonide | WJOHZNCJWYWUJD-IUGZLZTKSA-N | PL pro |
| -9.2 | 6cs2 | DB03005 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | ISUOMOOYAOQQPZ-UHFFFAOYSA-O | ACE2 area for S-protein binding |
| -9.2 | 6crv | DB11423 | Lasalocid | BBMULGJBVDDDNI-OWKLGTHSSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB13089 | Enoxolone | MPDGHEJMBKOTSU-YKLVYJNSSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB00921 | Buprenorphine | RMRJXGBAOAMLHD-IHFGGWKQSA-N | PL pro |
| -9.2 | 6crv | DB02375 | Myricetin | IKMDFBPHZNJCSN-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB12548 | Sparsentan | WRFHGDPIDHPWIQ-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m3m | DB04885 | Cilansetron | NCNFDKWULDWJDS-OAHLLOKOSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | PL pro |
| -9.2 | 6vxx | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB15446 | Vidofludimus | XPRDUGXOWVXZLL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | PL pro |
| -9.2 | 6cs2 | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxx | DB00197 | Troglitazone | GXPHKUHSUJUWKP-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB01405 | Temafloxacin | QKDHBVNJCZBTMR-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9q | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.2 | 6m2n | DB03262 | Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | PZLYYZPXSSNGJS-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6w9c | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w9c | DB07716 | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL | VDRIXSJOPKVWKM-HXGIDPQASA-N | PL pro |
| -9.2 | 6w4h | DB08339 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | ZIQFYVPVJZEOFS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6vxx | DB11800 | Tivozanib | SPMVMDHWKHCIDT-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB07211 | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE | YMJHMJLNQLVUAV-GHYUOPHCSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | PL pro |
| -9.2 | 6crv | DB13675 | Metahexamide | XXYTXQGCRQLRHA-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6vxx | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB00973 | Ezetimibe | OLNTVTPDXPETLC-XPWALMASSA-N | PL pro |
| -9.2 | 6w9c | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | PL pro |
| -9.2 | 6crv | DB00984 | Nandrolone phenpropionate | UBWXUGDQUBIEIZ-QNTYDACNSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB14810 | AZD-1656 | FJEJHJINOKKDCW-INIZCTEOSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB02388 | Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | UQFRSHRWRKYNDE-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB07815 | GIBBERELLIN A4 | RSQSQJNRHICNNH-NFMPGMCNSA-N | ACE2 area for S-protein binding |
| -9.2 | 6vxx | DB04348 | Taurocholic Acid | WBWWGRHZICKQGZ-HZAMXZRMSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | ACE2 area for S-protein binding |
| -9.2 | 6lzg | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m71 | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | nsp16 - nsp10 |
| -9.2 | 7bv1 | DB08865 | Crizotinib | KTEIFNKAUNYNJU-GFCCVEGCSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB08614 | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE | MYFMPKCOIMRDDD-KRWDZBQOSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | nsp16 - nsp10 |
| -9.2 | 6lzg | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m3m | DB08011 | (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime | DXIHOIDYHQSQKJ-HMMYKYKNSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB15266 | TAK-580 | VWMJHAFYPMOMGF-ZCFIWIBFSA-N | nsp16 - nsp10 |
| -9.2 | 6w4h | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | nsp16 - nsp10 |
| -9.2 | 6vxx | DB09534 | Ecamsule | HEAHZSUCFKFERC-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB14917 | Ceralasertib | DTTJKLNXNZAVSM-JYCIKRDWSA-N | PL pro |
| -9.2 | 6cs2 | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | ACE2 area for S-protein binding |
| -9.2 | 6w9c | DB08495 | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | VXONTEUOQXFJJS-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m2n | DB13347 | Diphenadione | JYGLAHSAISAEAL-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6vxx | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB08042 | N-4-methyl-N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | FLXGQDHYCWXTAI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB15151 | RO-6870810 | PKQXLRYFPSZKDU-QFIPXVFZSA-N | 3CL pro |
| -9.2 | 6w9c | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | PL pro |
| -9.2 | 6m3m | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | nsp16 - nsp10 |
| -9.2 | 6w4h | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB09168 | 4-Phenylfentanyl | BXCJXJLHYMWMQU-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | PL pro |
| -9.2 | 6m2n | DB14944 | Tarloxotinib | MUJMYVFVAWFUJL-SNAWJCMRSA-O | 3CL pro |
| -9.2 | 6cs2 | DB08191 | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | KSFDVNIKNYXUIP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 7bv1 | DB09233 | Cronidipine | CNIJVNPIIHWRRP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6w4h | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB12863 | Sivelestat | BTGNGJJLZOIYID-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6cs2 | DB15033 | Flortaucipir | GETAAWDSFUCLBS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6w4h | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB12022 | Evatanepag | WOHRHWDYFNWPNG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | spike glycoprotein |
| -9.2 | 6w4h | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6vxs | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6m2n | DB14993 | Pyrotinib | SADXACCFNXBCFY-IYNHSRRRSA-N | 3CL pro |
| -9.2 | 6w9c | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | PL pro |
| -9.2 | 6lxt | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6m2n | DB12832 | Prednimustine | HFVNWDWLWUCIHC-GUPDPFMOSA-N | 3CL pro |
| -9.2 | 6w4h | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB12796 | MRX-I | SULYVXZZUMRQAX-NSHDSACASA-N | nucleocapsid protein |
| -9.2 | 6vxx | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12066 | Orteronel | OZPFIJIOIVJZMN-SFHVURJKSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6cs2 | DB06977 | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine | CAASENZOSQYNPX-HSTJUUNISA-N | ACE2 area for S-protein binding |
| -9.2 | 6m3m | DB07986 | [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID | GNSLACGSDSJAIQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB06717 | Fosaprepitant | BARDROPHSZEBKC-OITMNORJSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB14055 | (S)-Warfarin | PJVWKTKQMONHTI-HNNXBMFYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12068 | T-900607 | FSXLOWIFSZNIMV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB00203 | Sildenafil | BNRNXUUZRGQAQC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB12325 | Idasanutlin | TVTXCJFHQKSQQM-LJQIRTBHSA-N | spike glycoprotein |
| -9.2 | 6crv | DB05983 | Bardoxolone methyl | WPTTVJLTNAWYAO-KPOXMGGZSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12049 | Dasolampanel etibutil | HPBRMCFZIGUGTK-ZMMAXQRCSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB15391 | Elenbecestat | AACUJFVOHGRMTR-DPXNYUHVSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxx | DB07340 | N-6-cyclohexyl-N-2-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | ZFLJHSQHILSNCM-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m71 | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB13788 | Chlorbenzoxamine | VEVSKUJZSMGTMM-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB14844 | ONC-201 | VLULRUCCHYVXOH-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w9c | DB14862 | PF-06815345 | QTBYVAZRKWOIDU-FUHWJXTLSA-N | PL pro |
| -9.2 | 6w9c | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w4h | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | nsp16 - nsp10 |
| -9.2 | 6cs2 | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6w9c | DB14856 | PF-05089771 | ZYSCOUXLBXGGIM-UHFFFAOYSA-N | PL pro |
| -9.2 | 6w4h | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | nsp16 - nsp10 |
| -9.2 | 6vxx | DB06510 | Muraglitazar | IRLWJILLXJGJTD-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12808 | Trifarotene | MFBCDACCJCDGBA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | PL pro |
| -9.2 | 6m2n | DB15157 | Voruciclib | MRPGRAKIAJJGMM-OCCSQVGLSA-N | 3CL pro |
| -9.2 | 6w9c | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | PL pro |
| -9.2 | 6m3m | DB12939 | Nikkomycin Z | WWJFFVUVFNBJTN-VHDFTHOZSA-N | nucleocapsid protein |
| -9.2 | 6m71 | DB03791 | (3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid | NAXSRXHZFIBFMI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB12937 | Quercetin-3'-O-phosphate | UWJBYNLLMAPJMM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6cs2 | DB02877 | Arotinoid acid | FOIVPCKZDPCJJY-JQIJEIRASA-N | ACE2 area for S-protein binding |
| -9.2 | 6lxt | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | S2 unit |
| -9.2 | 7bv1 | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB12941 | ODM-201 | BLIJXOOIHRSQRB-PXYINDEMSA-N | nucleocapsid protein |
| -9.2 | 6w4h | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB04378 | 3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | APJAEXGNDLFGPD-AWCRTANDSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | 3CL pro |
| -9.2 | 6m2n | DB00223 | Diflorasone | WXURHACBFYSXBI-XHIJKXOTSA-N | 3CL pro |
| -9.2 | 6w4h | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB11263 | Polydatin | HSTZMXCBWJGKHG-CUYWLFDKSA-N | spike glycoprotein |
| -9.2 | 6w9c | DB00421 | Spironolactone | LXMSZDCAJNLERA-ZHYRCANASA-N | PL pro |
| -9.2 | 6cs2 | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6lxt | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | S2 unit |
| -9.2 | 6w9c | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | PL pro |
| -9.2 | 6m3m | DB01224 | Quetiapine | URKOMYMAXPYINW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6cs2 | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB14932 | Coleneuramide | CHMRTBYTCBDIRG-JQZMMWJVSA-N | 3CL pro |
| -9.2 | 6m3m | DB03173 | CRA_10433 | CFSQPEBVGUSQII-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB09128 | Brexpiprazole | ZKIAIYBUSXZPLP-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | spike glycoprotein |
| -9.2 | 6vxx | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB01076 | Atorvastatin | XUKUURHRXDUEBC-KAYWLYCHSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB07147 | methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | HJWMYFBKJRVWJY-YKSBVNFPSA-N | nucleocapsid protein |
| -9.2 | 6m2n | DB12857 | NVP-LEQ-506 | POERAARDVFVDLO-QGZVFWFLSA-N | 3CL pro |
| -9.2 | 6w4h | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | nsp16 - nsp10 |
| -9.2 | 6m3m | DB03488 | Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-galactose | NGTCPFGWXMBZEP-NQQHDEILSA-N | nucleocapsid protein |
| -9.2 | 6lzg | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6crv | DB06999 | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | YZDJQTHVDDOVHR-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6lzg | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6m3m | DB08137 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide | ZMWYSLJBNJUCRK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 7bv1 | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6vxs | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB12505 | E-7820 | LWGUASZLXHYWIV-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6cs2 | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.2 | 6m2n | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m3m | DB12890 | Dihydrexidine | BGOQGUHWXBGXJW-YOEHRIQHSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB04645 | 5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID | NJJIFGCFUDDBSP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m71 | DB03907 | N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-Benzamide | UHHBFOLQOQSPLU-WGRQDFERSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6w4h | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | nsp16 - nsp10 |
| -9.2 | 6crv | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | spike glycoprotein |
| -9.2 | 7bv1 | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6crv | DB07889 | (2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol | VCPXSBULBDYRLT-SFHVURJKSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB12924 | Ozenoxacin | XPIJWUTXQAGSLK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m71 | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | nsp12-nsp7-nsp8 |
| -9.2 | 6m3m | DB08121 | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | TZTPJJNNACUQQR-FQEVSTJZSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6crv | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | spike glycoprotein |
| -9.2 | 6m2n | DB07215 | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID | ILUPZUOBHCUBKB-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6m3m | DB07175 | N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide | CXQRKICWSCAUGW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6m3m | DB04867 | Lintitript | ILNRQFBVVQUOLP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6vxs | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.2 | 6w9c | DB08174 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE | QCPYHSAHOYXXQK-DLBZAZTESA-N | PL pro |
| -9.2 | 6crv | DB14854 | TC-6987 | UAKZGMMGIMKFMV-RBUKOAKNSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB08126 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | DMCRNUMVSATRTP-LCYFTJDESA-N | nucleocapsid protein |
| -9.2 | 6w9c | DB15418 | AZD-9977 | MBKYLPOPYYLTNW-ZDUSSCGKSA-N | PL pro |
| -9.2 | 6lzg | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.2 | 6w9c | DB15075 | 4-demethyl-4-cholesteryloxycarbonylpenclomedine | ZJUUIXYKTPSIOH-LEZJFEBPSA-N | PL pro |
| -9.2 | 6m2n | DB03507 | 6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One | UXGUZFZBZPPZGL-UHFFFAOYSA-N | 3CL pro |
| -9.2 | 6crv | DB08137 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide | ZMWYSLJBNJUCRK-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6crv | DB13729 | Camostat | XASIMHXSUQUHLV-UHFFFAOYSA-N | spike glycoprotein |
| -9.2 | 6m3m | DB00878 | Chlorhexidine | GHXZTYHSJHQHIJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.2 | 6crv | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB04689 | 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | ZXWVCCFKIRBLDP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxs | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB07036 | (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol | GPFRMIHXGMVMGF-BZSNNMDCSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6cs2 | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB08942 | Isoxicam | YYUAYBYLJSNDCX-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB12114 | Poziotinib | LPFWVDIFUFFKJU-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w4b | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | nsp9 |
| -9.1 | 6m2n | DB12025 | Triptolide | DFBIRQPKNDILPW-CIVMWXNOSA-N | 3CL pro |
| -9.1 | 6crv | DB08008 | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | LRHHXKBKRNNFRV-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB03161 | Thymidine-5'-Diphospho-Beta-D-Xylose | AJUADKZRQSBUAK-KDGZBOQCSA-N | nucleocapsid protein |
| -9.1 | 6cs2 | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB08429 | N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | QRGBOABBMKYMLG-UXHICEINSA-N | 3CL pro |
| -9.1 | 6m3m | DB14799 | PF-06821497 | RXCVUHMIWHRLDF-HXUWFJFHSA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB03446 | N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide | FSMWGHKWKYCPKE-QTVCLEQKSA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB02155 | Balanol Analog 8 | XVLMXAUKCDSMMW-YXLARRHKSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB07187 | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE | FXFPQPNUMWQRAO-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB09050 | Ceftolozane | JHFNIHVVXRKLEF-DCZLAGFPSA-N | 3CL pro |
| -9.1 | 6w4h | DB02830 | FR236913 | KCCUBLLGAMGDJL-HXUWFJFHSA-N | nsp16 - nsp10 |
| -9.1 | 6w4h | DB00319 | Piperacillin | IVBHGBMCVLDMKU-GXNBUGAJSA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB03351 | Sri-9439 | KMSATRJZEXNGDP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB07375 | 5-BETA-ANDROSTANE-3,17-DIONE | RAJWOBJTTGJROA-QJISAEMRSA-N | spike glycoprotein |
| -9.1 | 6crv | DB07453 | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | VFMMPHCGEFXGIP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | S2 unit |
| -9.1 | 6m3m | DB01261 | Sitagliptin | MFFMDFFZMYYVKS-SECBINFHSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB06634 | Casopitant | XGGTZCKQRWXCHW-WMTVXVAQSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB03220 | FR233623 | OODDZQQDDOVCFD-SCLBCKFNSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB11742 | Ebastine | MJJALKDDGIKVBE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w4h | DB00246 | Ziprasidone | MVWVFYHBGMAFLY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB06629 | Zibotentan | FJHHZXWJVIEFGJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m71 | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w4h | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB15212 | Pemafibrate | ZHKNLJLMDFQVHJ-RUZDIDTESA-N | nucleocapsid protein |
| -9.1 | 6cs2 | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | 3CL pro |
| -9.1 | 6m3m | DB15227 | Tirabrutinib | SEJLPXCPMNSRAM-GOSISDBHSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB14937 | MK-8666 | CODQKEMYZZKQAE-QPVYNBJUSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6vxx | DB06875 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | NSSOSHDCWCMNDM-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB08389 | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UPTQSRGSSJRBKJ-LJQANCHMSA-N | 3CL pro |
| -9.1 | 6w4h | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB08546 | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | CETLUACQMGBMFH-ZALSBGIRSA-N | 3CL pro |
| -9.1 | 6w4h | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | nsp16 - nsp10 |
| -9.1 | 7bv1 | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 7bv1 | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 7bv1 | DB12843 | Oleandrin | JLPDBLFIVFSOCC-XYXFTTADSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB14669 | Betamethasone phosphate | VQODGRNSFPNSQE-DVTGEIKXSA-N | 3CL pro |
| -9.1 | 6crv | DB12680 | Intepirdine | JJZFWROHYSMCMU-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB02194 | 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | ULLMMKZQNNBLRN-SANMLTNESA-N | nucleocapsid protein |
| -9.1 | 6lxt | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | S2 unit |
| -9.1 | 6vxx | DB07014 | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole | TUTZKAQTSPMEBI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB08459 | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | SVMHTBVIPYVDIL-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6crv | DB07245 | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE | AEVBKBAFFJKFJZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | nsp16 - nsp10 |
| -9.1 | 6crv | DB07235 | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE | HHOVRZGUSBMKKU-ZDUSSCGKSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB14541 | Hydrocortisone cypionate | DLVOSEUFIRPIRM-KAQKJVHQSA-N | 3CL pro |
| -9.1 | 6m3m | DB14879 | Cefiderocol | DBPPRLRVDVJOCL-FQRUVTKNSA-N | nucleocapsid protein |
| -9.1 | 6m71 | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB07338 | Acifluorfen | NUFNQYOELLVIPL-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB08446 | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile | OHQMEDBYNUAVNE-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m3m | DB14854 | TC-6987 | UAKZGMMGIMKFMV-RBUKOAKNSA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB00878 | Chlorhexidine | GHXZTYHSJHQHIJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6lxt | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6m2n | DB12052 | Icariin | TZJALUIVHRYQQB-XLRXWWTNSA-N | 3CL pro |
| -9.1 | 6vxx | DB06916 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE | LBCGUKCXRVUULK-QGZVFWFLSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB02498 | Carba-Nicotinamide-Adenine-Dinucleotide | DGPLSUKWXXSBCU-VGXGLJSLSA-O | nsp16 - nsp10 |
| -9.1 | 6w4h | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | nsp16 - nsp10 |
| -9.1 | 7bv1 | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB08954 | Ifenprodil | UYNVMODNBIQBMV-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6lzg | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6vxx | DB07395 | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | NWQGDIBCFLDHDO-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxs | DB15268 | Afabicin | HFYMDQMXVPJNTH-VQHVLOKHSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6lzg | DB14982 | Miransertib | HNFMVVHMKGFCMB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6w4h | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB03159 | CRA_8696 | GAVRMVQHHVMXFD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w4h | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | nsp16 - nsp10 |
| -9.1 | 6m3m | DB02639 | 4-methylumbelliferyl alpha-D-glucoside | YUDPTGPSBJVHCN-JZYAIQKZSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB04596 | 4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-β-D-mannopyranosyl}-D-glucopyranuronic acid | GZJXZKGVHLWBOW-AISSFXTFSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB14545 | Hydrocortisone succinate | VWQWXZAWFPZJDA-CGVGKPPMSA-N | nucleocapsid protein |
| -9.1 | 6cs2 | DB01184 | Domperidone | FGXWKSZFVQUSTL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB07741 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE | VPNYXOTTXAXSIH-SXYSDOLCSA-N | spike glycoprotein |
| -9.1 | 6w4b | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | nsp9 |
| -9.1 | 6crv | DB08791 | 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE | USLOIFPDNUDIEG-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB03221 | AL7099A | RMOXCYSVWCHXII-GFCCVEGCSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB15173 | JNJ-42165279 | YWGYNGCRVZLMCS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB12812 | Palomid 529 | YEAHTLOYHVWAKW-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB07756 | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL | GPBGHVRNVGXPNM-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB15266 | TAK-580 | VWMJHAFYPMOMGF-ZCFIWIBFSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB03267 | 1-Allyl-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine | XFOWZKUTPKXWIE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB07764 | FLUORESCIN | MURGITYSBWUQTI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB14209 | Trandolaprilat | AHYHTSYNOHNUSH-HXFGRODQSA-N | nucleocapsid protein |
| -9.1 | 6m71 | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w4h | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB14208 | Ramiprilat | KEDYTOTWMPBSLG-HILJTLORSA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB04514 | Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester | DFYLLEBFVZTKHD-VMIOUTBZSA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB07831 | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | SHSORWZDEKFFLP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6crv | DB07490 | 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL | MOZUMFSUQQHSCO-MRVPVSSYSA-N | spike glycoprotein |
| -9.1 | 6lzg | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6crv | DB07679 | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid | RRAAROKJUVKWAF-RDJZCZTQSA-N | spike glycoprotein |
| -9.1 | 6lzg | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6crv | DB07140 | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | JPENSYBRTSIYGO-AWEZNQCLSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB03363 | 3-Acetylpyridine Adenine Dinucleotide | KPVQNXLUPNWQHM-RBEMOOQDSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB01082 | Streptomycin | UCSJYZPVAKXKNQ-HZYVHMACSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB15356 | SLV-334 | LOFDNSDPZTVIIO-VPUSJEBWSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6lzg | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6vxx | DB07311 | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE | JRSWWYITYIOHOP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB07567 | (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL | XPVKGTWRXBSJKO-LHXLBICKSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB07571 | N-2-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE | ZUWYQZGBCBSHFK-HSQYWUDLSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | S2 unit |
| -9.1 | 6lxt | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | S2 unit |
| -9.1 | 6vxx | DB07809 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | MBJYEMUMDMGQQC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB08350 | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE | GYQRHHQPEMOLKH-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6wiq | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | nsp7-nsp8 |
| -9.1 | 6m2n | DB08746 | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | ZOSSOFIFNGGDKG-GIJQJNRQSA-N | 3CL pro |
| -9.1 | 6m3m | DB15362 | LSZ-102 | SJXNPGGVGZXKKI-NYYWCZLTSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4b | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | nsp9 |
| -9.1 | 6m2n | DB14634 | Fluprednidene acetate | DEFOZIFYUBUHHU-IYQKUMFPSA-N | 3CL pro |
| -9.1 | 7bv1 | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lxt | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | S2 unit |
| -9.1 | 6lzg | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6m2n | DB08755 | N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | MQWUTQCRGGBPBT-WIOPSUGQSA-N | 3CL pro |
| -9.1 | 6cs2 | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxs | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6lzg | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6crv | DB07578 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE | WUOLYUKMMRCXGH-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB12659 | SJ-733 | VKCPFWKTFZAOTO-LEWJYISDSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m2n | DB13256 | Clothiapine | KAAZGXDPUNNEFN-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w4h | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB07156 | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione | JFEKAVPMVOLVTH-UNOMPAQXSA-N | spike glycoprotein |
| -9.1 | 6m71 | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB13024 | MK-8245 | UJEAABFSXKCSGI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | nucleocapsid protein |
| -9.1 | 6lzg | DB06486 | Enzastaurin | AXRCEOKUDYDWLF-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6m3m | DB04689 | 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | ZXWVCCFKIRBLDP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w9c | DB08549 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | MFDBNNQUDZFSES-KRWDZBQOSA-N | PL pro |
| -9.1 | 6crv | DB13790 | Fipexide | BFUJHVVEMMWLHC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB04693 | (13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE | CRDKSBHJIGNEOH-IMRIKWHGSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | 3CL pro |
| -9.1 | 6m3m | DB07967 | 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE | JJNKDTWKWYLERH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6lxt | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | S2 unit |
| -9.1 | 6crv | DB12524 | BI-671800 | XEOSTBFUCNZKGS-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB12952 | Methylprednisone | SVYCRJXQZUCUND-PQXSVQADSA-N | spike glycoprotein |
| -9.1 | 6crv | DB01946 | 3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione | UQHKJRCFSLMWIA-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB07936 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine | BACSZMCLZIDTIO-IBGZPJMESA-N | nucleocapsid protein |
| -9.1 | 6crv | DB12194 | Atamestane | PEPMWUSGRKINHX-TXTPUJOMSA-N | spike glycoprotein |
| -9.1 | 6lzg | DB06134 | SNS-314 | FAYAUAZLLLJJGH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6w9c | DB08833 | Taurochenodeoxycholic acid | BHTRKEVKTKCXOH-BJLOMENOSA-N | PL pro |
| -9.1 | 6m3m | DB07875 | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide | ARAVOODWJJJNBY-IRXDYDNUSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | PL pro |
| -9.1 | 6crv | DB01876 | Bis(5-Amidino-2-Benzimidazolyl)Methanone | VVVXDHROXQUONB-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB14944 | Tarloxotinib | MUJMYVFVAWFUJL-SNAWJCMRSA-O | spike glycoprotein |
| -9.1 | 6vxx | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB07212 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE | NNGZRCYXFBHMRM-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | PL pro |
| -9.1 | 6crv | DB02069 | N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide | ULYMHSXFSKOHGH-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB08861 | DPDPE | MCMMCRYPQBNCPH-WMIMKTLMSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB02081 | Bis-Benzamidine | BXYGSMRTHHSAHZ-PMACEKPBSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB00862 | Vardenafil | SECKRCOLJRRGGV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB12724 | AZD-7295 | MAQDQJWCSSCURR-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB07946 | N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide | DZEJHPMTDNDECN-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m71 | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lxt | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6w9c | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | PL pro |
| -9.1 | 6vxx | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6cs2 | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | PL pro |
| -9.1 | 6vxs | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6cs2 | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxs | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB08393 | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL | UQHINZSKNAAVOZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB08057 | N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine | VWJPPYCULHDHBB-HNNXBMFYSA-N | PL pro |
| -9.1 | 6cs2 | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | PL pro |
| -9.1 | 6crv | DB02224 | Taxifolin | CXQWRCVTCMQVQX-LSDHHAIUSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB08147 | 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid | RMWVENXKUQXLPW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6cs2 | DB02873 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One | YAWZIQKDHQIHOS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6lxt | DB12052 | Icariin | TZJALUIVHRYQQB-XLRXWWTNSA-N | S2 unit |
| -9.1 | 6m3m | DB08142 | AT-7519 | OVPNQJVDAFNBDN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB13721 | Cypermethrin | KAATUXNTWXVJKI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB08125 | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | BOMPRXSVSIPRDT-PTNGSMBKSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB04644 | 4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID | FCEMCUPAYRPTLS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB13072 | GDC-0349 | RGJOJUGRHPQXGF-INIZCTEOSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB08268 | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | SPVJRTJUEVXOMS-UHFFFAOYSA-N | PL pro |
| -9.1 | 6vxx | DB12659 | SJ-733 | VKCPFWKTFZAOTO-LEWJYISDSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB08305 | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | KQAGZLQCEURCKJ-QGZVFWFLSA-N | PL pro |
| -9.1 | 6crv | DB02118 | CP-271485 | CIUMOGWIMXNXSQ-GOSISDBHSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB08353 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | NCVMTHVSAJMOPI-UHFFFAOYSA-N | PL pro |
| -9.1 | 6vxx | DB12705 | Cenerimod | KJKKMMMRWISKRF-FQEVSTJZSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6cs2 | DB06543 | Astaxanthin | MQZIGYBFDRPAKN-UWFIBFSHSA-N | ACE2 area for S-protein binding |
| -9.1 | 7bv1 | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB01668 | Nanaomycin D | XUWPJKDMEZSVTP-UOSCCXBLSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB12380 | GDC-0152 | WZRFLSDVFPIXOV-LRQRDZAKSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB07638 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL | QJSMFUTULGSHNQ-ZOBUZTSGSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | PL pro |
| -9.1 | 6vxx | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB04471 | 2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | FMWVCTJKLAVRPB-MUUNZHRXSA-N | 3CL pro |
| -9.1 | 6m71 | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB07616 | 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid | LKZZDHKJFDTYCH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB13843 | Cloprednol | YTJIBEDMAQUYSZ-FDNPDPBUSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB12211 | PSI-697 | DIEPFYNZGUUVHD-UHFFFAOYSA-N | PL pro |
| -9.1 | 6crv | DB01602 | Bacampicillin | PFOLLRNADZZWEX-FFGRCDKISA-N | spike glycoprotein |
| -9.1 | 6m2n | DB04378 | 3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | APJAEXGNDLFGPD-AWCRTANDSA-N | 3CL pro |
| -9.1 | 6w9c | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | PL pro |
| -9.1 | 6w9c | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB07567 | (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL | XPVKGTWRXBSJKO-LHXLBICKSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB01589 | Quazepam | IKMPWMZBZSAONZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB07263 | [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | WDTMVBQZDFMOIK-GOSISDBHSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB11992 | Omarigliptin | MKMPWKUAHLTIBJ-ISTRZQFTSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB12341 | LY-2456302 | ZHPMYDSXGRRERG-DEOSSOPVSA-N | PL pro |
| -9.1 | 6w9c | DB12375 | Oglemilast | OKFDRAHPFKMAJH-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9c | DB12385 | 10-hydroxycamptothecin | HAWSQZCWOQZXHI-FQEVSTJZSA-N | PL pro |
| -9.1 | 6vxx | DB11984 | Letaxaban | GEHAEMCVKDPMKO-HXUWFJFHSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB07536 | N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide | FQYBTYFKOHPWQT-VGSWGCGISA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB04158 | 6-(Adenosine Tetraphosphate-Methyl)-7,8-Dihydropterin | ZKRKFZJAQKKHKL-SUGPNEFASA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB07530 | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol | PCHUQQNKOFNVDU-OSXMSNBXSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB11958 | Brivanib | WCWUXEGQKLTGDX-LLVKDONJSA-N | spike glycoprotein |
| -9.1 | 6crv | DB08449 | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid | IEVFQDJUDLCOQY-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB11921 | Deflazacort | FBHSPRKOSMHSIF-GRMWVWQJSA-N | PL pro |
| -9.1 | 6m3m | DB00319 | Piperacillin | IVBHGBMCVLDMKU-GXNBUGAJSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB07686 | 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | VPOGRVWIIVMWRI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | PL pro |
| -9.1 | 6lxt | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6w9c | DB09272 | Eluxadoline | QFNHIDANIVGXPE-FNZWTVRRSA-N | PL pro |
| -9.1 | 6vxx | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | spike glycoprotein |
| -9.1 | 6m2n | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m71 | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB12322 | GW-870086 | WUBKGTSFJSEIEM-NSHBDUGJSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB07570 | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | ZKEZEXYKYHYIMQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxs | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6vxx | DB07226 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE | JWZVNUNTFNELHL-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB01780 | Fusicoccin | KXTYBXCEQOANSX-WYKQKOHHSA-N | spike glycoprotein |
| -9.1 | 6crv | DB01774 | Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester | WFPZSXYXPSUOPY-ROYWQJLOSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB12183 | Sapitinib | DFJSJLGUIXFDJP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB08005 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide | ARMFMDYRYOKSOW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB07775 | 3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE | BRPKBUNFOZFULQ-SGAXSIHGSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB11616 | Pirarubicin | KMSKQZKKOZQFFG-YXRRJAAWSA-N | PL pro |
| -9.1 | 6m3m | DB07768 | Epitestosterone | MUMGGOZAMZWBJJ-KZYORJDKSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | PL pro |
| -9.1 | 6m2n | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxs | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w9c | DB11712 | Tezacaftor | MJUVRTYWUMPBTR-MRXNPFEDSA-N | PL pro |
| -9.1 | 6vxx | DB12430 | BC-3781 | KPVIXBKIJXZQJX-IJUBVZAWSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB02639 | 4-methylumbelliferyl ??-D-glucoside | YUDPTGPSBJVHCN-JZYAIQKZSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB11751 | Cabotegravir | WCWSTNLSLKSJPK-LKFCYVNXSA-N | PL pro |
| -9.1 | 6crv | DB13828 | Cyfluthrin | QQODLKZGRKWIFG-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | PL pro |
| -9.1 | 6vxx | DB12419 | HSD-016 | ZWASRJHIEFYJGL-BFUOFWGJSA-N | spike glycoprotein |
| -9.1 | 6crv | DB01705 | Bis(5-Amidino-Benzimidazolyl)Methane | QZKOOEFIMWKZPK-UHFFFAOYSA-Q | spike glycoprotein |
| -9.1 | 6m71 | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB14899 | Tavapadon | AKQXQLUNFKDZBN-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB00180 | Flunisolide | XSFJVAJPIHIPKU-XWCQMRHXSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB01668 | Nanaomycin D | XUWPJKDMEZSVTP-UOSCCXBLSA-N | nucleocapsid protein |
| -9.1 | 6lxt | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6w9c | DB06409 | Morphine glucuronide | GNJCUHZOSOYIEC-GAROZEBRSA-N | PL pro |
| -9.1 | 6m71 | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB12512 | Verucerfont | VKHVAUKFLBBZFJ-SFHVURJKSA-N | 3CL pro |
| -9.1 | 7bv1 | DB01669 | Virginiamycin M1 | DAIKHDNSXMZDCU-FQTGFAPKSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB06518 | R-1487 | KKKRKRMVJRHDMG-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9c | DB06543 | Astaxanthin | MQZIGYBFDRPAKN-UWFIBFSHSA-N | PL pro |
| -9.1 | 6w9c | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | PL pro |
| -9.1 | 6cs2 | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB06635 | Otamixaban | PFGVNLZDWRZPJW-OPAMFIHVSA-N | PL pro |
| -9.1 | 6cs2 | DB12420 | Diazepinomicin | SALVHVNECODMJP-GNUCVDFRSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxx | DB15156 | ABT-072 | XMZSTQYSBYEENY-RMKNXTFCSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB02716 | 7-Methyl-Guanosine-5'-Triphosphate | DKVRNHPCAOHRSI-KQYNXXCUSA-O | nucleocapsid protein |
| -9.1 | 6crv | DB02812 | (2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide | VXDAVYUFYPFGDX-SNPRPXQTSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB01436 | Alfacalcidol | OFHCOWSQAMBJIW-AVJTYSNKSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB00921 | Buprenorphine | RMRJXGBAOAMLHD-IHFGGWKQSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB13997 | Baloxavir marboxil | RZVPBGBYGMDSBG-GGAORHGYSA-N | S2 unit |
| -9.1 | 6w9c | DB06876 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | YJWJKKXGAPWLGT-UHFFFAOYSA-N | PL pro |
| -9.1 | 6crv | DB12441 | Tavilermide | DVJXNXPFYJIACK-ULQDDVLXSA-N | spike glycoprotein |
| -9.1 | 6crv | DB13554 | Moperone | AGAHNABIDCTLHW-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB05105 | Pleconaril | KQOXLKOJHVFTRN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxx | DB13164 | Olmutinib | FDMQDKQUTRLUBU-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | 3CL pro |
| -9.1 | 6m2n | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6crv | DB02790 | Phenyl-Uridine-5'-Diphosphate | ZHUWBKDWWGKIEN-FMKGYKFTSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB08664 | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | QUQQVMVIWCUYFV-KRWDZBQOSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB13126 | BMS-986115 | SRJNRAQUSAVENA-GSHUGGBRSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB05171 | E-2012 | PUOAETJYKQITMO-LANLRWRYSA-N | ACE2 area for S-protein binding |
| -9.1 | 7bv1 | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB08794 | Ethyl biscoumacetate | JCLHQFUTFHUXNN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lxt | DB00591 | Fluocinolone acetonide | FEBLZLNTKCEFIT-VSXGLTOVSA-N | S2 unit |
| -9.1 | 6crv | DB15109 | Ingenol disoxate | GLIUZQUNUNICGS-XUBYYPQFSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w9c | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9q | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.1 | 6vxx | DB13631 | Methoserpidine | ULBNWNUHGJLQHO-VKMIBBQISA-N | spike glycoprotein |
| -9.1 | 6vxx | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | PL pro |
| -9.1 | 6vxx | DB13422 | Nicofuranose | FUWFSXZKBMCSKF-ZASNTINBSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB14768 | PF-06459988 | ODMXWZROLKITMS-RISCZKNCSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB04378 | 3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | APJAEXGNDLFGPD-AWCRTANDSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB06409 | Morphine glucuronide | GNJCUHZOSOYIEC-GAROZEBRSA-N | 3CL pro |
| -9.1 | 6vxx | DB00246 | Ziprasidone | MVWVFYHBGMAFLY-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB15105 | PF-06751979 | ZLZUHACSRMOLLV-RAALSFIWSA-N | spike glycoprotein |
| -9.1 | 6m71 | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | PL pro |
| -9.1 | 6m3m | DB08922 | Perospirone | FBVFZWUMDDXLLG-HDICACEKSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB11698 | Ipragliflozin | AHFWIQIYAXSLBA-RQXATKFSSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB04903 | Pagoclone | HIUPRQPBWVEQJJ-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9c | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | PL pro |
| -9.1 | 6m3m | DB02421 | Uridine-5'-Diphosphate-Mannose | HSCJRCZFDFQWRP-NYYOCOOHSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB00836 | Loperamide | RDOIQAHITMMDAJ-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w9c | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | PL pro |
| -9.1 | 6cs2 | DB04908 | Flibanserin | PPRRDFIXUUSXRA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB13610 | Flumedroxone | CDZJOBWKHSYNMO-SCUQKFFVSA-N | S2 unit |
| -9.1 | 6w9c | DB06090 | Bradanicline | OXKRFEWMSWPKKV-GHTZIAJQSA-N | PL pro |
| -9.1 | 6crv | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxx | DB00224 | Indinavir | CBVCZFGXHXORBI-PXQQMZJSSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB12598 | Nafamostat | MQQNFDZXWVTQEH-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6cs2 | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB08608 | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE | IWFSHKKFDSWNLZ-BWACUDIHSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB12562 | Setipiprant | IHAXLPDVOWLUOS-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m3m | DB08446 | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile | OHQMEDBYNUAVNE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB12805 | Ataciguat | PQHLRGARXNPFCF-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB12590 | Indiplon | CBIAWPMZSFFRGN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB00169 | Cholecalciferol | QYSXJUFSXHHAJI-YRZJJWOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB02491 | 4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine | CJSSYVIHFXDFFC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB08424 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | IJDQETGUEUJVTB-HNNXBMFYSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB13158 | Clobetasone | XXIFVOHLGBURIG-OZCCCYNHSA-N | 3CL pro |
| -9.1 | 7bv1 | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB02463 | 2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine | JPGNPKIYCTXJPG-UHFFFAOYSA-O | spike glycoprotein |
| -9.1 | 6m3m | DB08402 | 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | VNDRRWBKNSHALL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB08395 | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE | ZSOXFJURLPCSOO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6w9q | DB15029 | AZD-8186 | LMJFJIDLEAWOQJ-CQSZACIVSA-N | nsp9 RNA-replicase |
| -9.1 | 6cs2 | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | ACE2 area for S-protein binding |
| -9.1 | 7bv1 | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m71 | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 7bv1 | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | PL pro |
| -9.1 | 6cs2 | DB05944 | Varlitinib | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | 3CL pro |
| -9.1 | 6vxx | DB13591 | Metopimazine | BQDBKDMTIJBJLA-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB07815 | GIBBERELLIN A4 | RSQSQJNRHICNNH-NFMPGMCNSA-N | PL pro |
| -9.1 | 6m3m | DB04596 | 4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-??-D-mannopyranosyl}-D-glucopyranuronic acid | GZJXZKGVHLWBOW-AISSFXTFSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB08292 | (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE | AQKZYZQONWDDLS-IWQZZHSRSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB02342 | 2-Methox1tradiol | CQOQDQWUFQDJMK-SSTWWWIQSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB12591 | BMS-911543 | JCINBYQJBYJGDM-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6cs2 | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB02331 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | YBULOUKTPCHXAL-DEOSSOPVSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB12823 | Tecarfarin | QFLNTQDOVCLQKW-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB00146 | Calcifediol | JWUBBDSIWDLEOM-DTOXIADCSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | PL pro |
| -9.1 | 6crv | DB11742 | Ebastine | MJJALKDDGIKVBE-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB12483 | Copanlisib | PZBCKZWLPGJMAO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB15052 | Ansofaxine | QKYBZJLEMOZFFU-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB08560 | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE | GULUFDCOGAXLEP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6lxt | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | S2 unit |
| -9.1 | 6w9c | DB07141 | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | QVXYJVHNRPNRJL-HNNXBMFYSA-N | PL pro |
| -9.1 | 6w9c | DB07144 | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | XZXVRKHUCSXVBM-AWEZNQCLSA-N | PL pro |
| -9.1 | 6crv | DB08699 | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | FYCOTGCSHZKHPR-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB06833 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE | MMIJMYOYKAKQPN-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -9.1 | 6m71 | DB11787 | Ralimetinib | XPPBBJCBDOEXDN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB07216 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE | ZMGCFGGMTCMSDP-QHCPKHFHSA-N | PL pro |
| -9.1 | 6w9c | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | PL pro |
| -9.1 | 6cs2 | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxx | DB12877 | Oxatomide | BAINIUMDFURPJM-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB08460 | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile | KXDIHAQCVNNLIB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB12553 | Fluocinolone | UUOUOERPONYGOS-CLCRDYEYSA-N | 3CL pro |
| -9.1 | 6m3m | DB00923 | Ceforanide | SLAYUXIURFNXPG-CRAIPNDOSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m71 | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB14555 | Ursadiol | RTLXJEJRLWILSU-GWNGJUQLSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | PL pro |
| -9.1 | 6w9c | DB07311 | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE | JRSWWYITYIOHOP-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m2n | DB05552 | TG100-115 | UJIAQDJKSXQLIT-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m71 | DB11814 | PF-03882845 | XNULRSOGWPFPBL-REWPJTCUSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | PL pro |
| -9.1 | 6vxx | DB14218 | Telotristat | NCLGDOBQAWBXRA-PGRDOPGGSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB05465 | Tandutinib | UXXQOJXBIDBUAC-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m3m | DB08519 | N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | SQQAPOSROFWHIB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB00278 | Argatroban | KXNPVXPOPUZYGB-IOVMHBDKSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB00351 | Megestrol acetate | RQZAXGRLVPAYTJ-GQFGMJRRSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB12659 | SJ-733 | VKCPFWKTFZAOTO-LEWJYISDSA-N | PL pro |
| -9.1 | 6m3m | DB06833 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE | MMIJMYOYKAKQPN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB00603 | Medroxyprogesterone acetate | PSGAAPLEWMOORI-PEINSRQWSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB00705 | Delavirdine | WHBIGIKBNXZKFE-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB08439 | Parecoxib | TZRHLKRLEZJVIJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB11712 | Tezacaftor | MJUVRTYWUMPBTR-MRXNPFEDSA-N | spike glycoprotein |
| -9.1 | 6crv | DB00682 | Warfarin | PJVWKTKQMONHTI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB06771 | Besifloxacin | QFFGVLORLPOAEC-SNVBAGLBSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB06977 | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine | CAASENZOSQYNPX-HSTJUUNISA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w9q | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.1 | 6m3m | DB02505 | N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl) | JJVQUUYZGJWBPW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6lzg | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6m3m | DB01524 | Androstenediol | QADHLRWLCPCEKT-LOVVWNRFSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB06741 | Gavestinel | WZBNEZWCNKUOSM-VOTSOKGWSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB06737 | Zaltoprofen | MUXFZBHBYYYLTH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB00637 | Astemizole | GXDALQBWZGODGZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB06730 | Gestodene | SIGSPDASOTUPFS-XUDSTZEESA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB08400 | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | KUEKMTNOUPAOBS-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB00607 | Nafcillin | GPXLMGHLHQJAGZ-JTDSTZFVSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB02673 | (4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium | VLGAHTYYCHWLNI-BHRZLAGCSA-N | 3CL pro |
| -9.1 | 6crv | DB00590 | Doxazosin | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB00568 | Cinnarizine | DERZBLKQOCDDDZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB07679 | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid | RRAAROKJUVKWAF-RDJZCZTQSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB06635 | Otamixaban | PFGVNLZDWRZPJW-OPAMFIHVSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB02573 | 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate | LYWWDKIADIGKTH-IDMWBNCISA-N | 3CL pro |
| -9.1 | 6w9q | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.1 | 6vxs | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6cs2 | DB07179 | 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide | DXUJQXZHHGJMFM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9q | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.1 | 6vxs | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6cs2 | DB07458 | 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-KRWDZBQOSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB07024 | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE | CEXBEGBNDJVZPK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB15169 | H3B-6527 | MBWRLLRCTIYXDW-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m2n | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | 3CL pro |
| -9.1 | 6vxx | DB08520 | (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE | VUCSBBBCFXBFFY-IBGZPJMESA-N | spike glycoprotein |
| -9.1 | 6w9c | DB15186 | GDC-0084 | LGWACEZVCMBSKW-UHFFFAOYSA-N | PL pro |
| -9.1 | 6crv | DB00967 | Desloratadine | JAUOIFJMECXRGI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB07011 | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | HHOPJGKEAIIIDF-FQEVSTJZSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB15222 | GS-6620 | YAAQYJCOIFNMKX-RSTNYOGXSA-N | PL pro |
| -9.1 | 6w9c | DB15246 | Salvianolic acid A | YMGFTDKNIWPMGF-UCPJVGPRSA-N | PL pro |
| -9.1 | 6w9c | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB01536 | Androstenedione | AEMFNILZOJDQLW-QAGGRKNESA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB06994 | (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine | XCCSSVMRGIQMGF-LPHOPBHVSA-N | nucleocapsid protein |
| -9.1 | 6m71 | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB02547 | Guanosine-5'-Diphosphate-Rhamnose | LQEBEXMHBLQMDB-GDJBGNAASA-N | 3CL pro |
| -9.1 | 6m2n | DB03141 | 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril | UYUWNNRWESUYOB-FIRIVFDPSA-N | 3CL pro |
| -9.1 | 6m2n | DB01347 | Saprisartan | DUEWVPTZCSAMNB-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6crv | DB12021 | Dinaciclib | PIMQWRZWLQKKBJ-SFHVURJKSA-N | spike glycoprotein |
| -9.1 | 6crv | DB14471 | 2-Ethylhexyl 4-phenylbenzophenone-2'-carboxylate | TWAOKHHZKFMFMD-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB06932 | 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine | NVINUNQBDNEMSY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB06930 | N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide | WVLDNAVUCUAGDP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB00858 | Drostanolone | IKXILDNPCZPPRV-RFMGOVQKSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | S2 unit |
| -9.1 | 6m3m | DB06897 | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol | MMGKIHLBFPJYJL-HNNXBMFYSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w9q | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | nsp9 RNA-replicase |
| -9.1 | 6m2n | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxx | DB08460 | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile | KXDIHAQCVNNLIB-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB06869 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE | BMHVHOJXEQTIEA-SIKLNZKXSA-N | nucleocapsid protein |
| -9.1 | 6lxt | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | S2 unit |
| -9.1 | 6w9q | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.1 | 7bv1 | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB02545 | Fexaramine | VLQTUNDJHLEFEQ-KGENOOAVSA-N | 3CL pro |
| -9.1 | 6m3m | DB01513 | 17Alpha-methyl-3beta,17beta-dihydroxy-5alpha-androstane | QGKQXZFZOIQFBI-UYEYMFBJSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB06137 | KX-01 | HUNGUWOZPQBXGX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB00705 | Delavirdine | WHBIGIKBNXZKFE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB06248 | Amelubant | SBVYURPQULDJTI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB12092 | Naftopidil | HRRBJVNMSRJFHQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB01493 | Ethylestrenol | AOXRBFRFYPMWLR-XGXHKTLJSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m71 | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB01774 | Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester | WFPZSXYXPSUOPY-ROYWQJLOSA-N | 3CL pro |
| -9.1 | 6vxx | DB09235 | Efonidipine | NSVFSAJIGAJDMR-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | S2 unit |
| -9.1 | 6crv | DB14716 | Clonazolam | XJRGLCAWBRZUFC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB05590 | Bedoradrine | OANCEOSLKSTLTA-REWPJTCUSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB05575 | Motesanib | RAHBGWKEPAQNFF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB09227 | Barnidipine | VXMOONUMYLCFJD-DHLKQENFSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | spike glycoprotein |
| -9.1 | 6crv | DB12100 | Abediterol | SFYAXIFVXBKRPK-QFIPXVFZSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9q | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.1 | 7bv1 | DB04040 | N-(2-Morpholin-4-Yl-1-Morpholin-4-Ylmethyl-Ethyl)-3-Nitro-5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yloxy)-Benzamide | MCMWCTMAKPQTPI-WGNYYXNJSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB14726 | Dabigatran | YBSJFWOBGCMAKL-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB09291 | Rolapitant | FIVSJYGQAIEMOC-ZGNKEGEESA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB05424 | Canertinib | OMZCMEYTWSXEPZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB05422 | OPC-14523 | TZZGTNZBLPCBIS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB07966 | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | NVMCVWOODOWOLT-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB01623 | Thiothixene | GFBKORZTTCHDGY-UWVJOHFNSA-N | 3CL pro |
| -9.1 | 6m3m | DB05327 | Ranirestat | QCVNMNYRNIMDKV-QGZVFWFLSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB12078 | Enobosarm | JNGVJMBLXIUVRD-SFHVURJKSA-N | spike glycoprotein |
| -9.1 | 6m71 | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9q | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.1 | 6m3m | DB06213 | Regadenoson | LZPZPHGJDAGEJZ-AKAIJSEGSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB02466 | 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid | ZXQHMEUGMCXKLO-KPKJPENVSA-N | 3CL pro |
| -9.1 | 6m3m | DB06532 | Pafuramidine | UKOQVLAXCBRRGH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6cs2 | DB07267 | 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine | JONFDFIXMPXTRH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxx | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB06510 | Muraglitazar | IRLWJILLXJGJTD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB00408 | Loxapine | XJGVXQDUIWGIRW-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lzg | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6m2n | DB02388 | Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | UQFRSHRWRKYNDE-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxx | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB02360 | Bis-Napthyl Beta-Ketophosphonic Acid | OFHMUASCSJJNNA-JOCHJYFZSA-N | 3CL pro |
| -9.1 | 6crv | DB14654 | Bisoxatin acetate | ZCBJDQBSLZREAA-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB11800 | Tivozanib | SPMVMDHWKHCIDT-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxs | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6vxx | DB07685 | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | NMAZGYDYIYLSLJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB06346 | Fiboflapon | DFQGDHBGRSTTHX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6cs2 | DB13610 | Flumedroxone | CDZJOBWKHSYNMO-SCUQKFFVSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxs | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB06321 | R-348 | IGLNXKVGKIFNBQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB01764 | Dalfopristin | SUYRLXYYZQTJHF-VMBLUXKRSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB01501 | Difenoxin | UFIVBRCCIRTJTN-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB02164 | N-Sulfo-Flavin Mononucleotide | ZLPUGFBBLGQWBS-SCRDCRAPSA-N | 3CL pro |
| -9.1 | 6m3m | DB06281 | Torcetrapib | CMSGWTNRGKRWGS-NQIIRXRSSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB08049 | 7,8-dihydroxy-4-phenyl-2H-chromen-2-one | JRVIIPJSVKTPBK-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB13766 | Lidoflazine | ZBIAKUMOEKILTF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB02545 | Fexaramine | VLQTUNDJHLEFEQ-KGENOOAVSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB14673 | Flurandrenolide acetate | AUDPKCCPWYXNEV-XTLNBZDDSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB08043 | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA | DDDLGNOZDKDSEG-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB14678 | Norethindrone enanthate | APTGJECXMIKIET-WOSSHHRXSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB08305 | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | KQAGZLQCEURCKJ-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | PL pro |
| -9.1 | 6vxs | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB07034 | 2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID | VOKATEXROYSXDW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB00421 | Spironolactone | LXMSZDCAJNLERA-ZHYRCANASA-N | nucleocapsid protein |
| -9.1 | 6crv | DB01342 | Forasartan | YONOBYIBNBCDSJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lzg | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6m71 | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | 3CL pro |
| -9.1 | 6w9c | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | PL pro |
| -9.1 | 6crv | DB01326 | Cefamandole | OLVCFLKTBJRLHI-AXAPSJFSSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB13806 | Linopirdine | YEJCDKJIEMIWRQ-UHFFFAOYSA-N | PL pro |
| -9.1 | 6crv | DB01264 | Darunavir | CJBJHOAVZSMMDJ-HEXNFIEUSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB13843 | Cloprednol | YTJIBEDMAQUYSZ-FDNPDPBUSA-N | PL pro |
| -9.1 | 6m2n | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w9c | DB13865 | Dehydroemetine | XXLZPUYGHQWHRN-RPBOFIJWSA-N | PL pro |
| -9.1 | 6m3m | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB13919 | Candesartan | HTQMVQVXFRQIKW-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9c | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | PL pro |
| -9.1 | 6cs2 | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB13991 | Pipequaline | AMEWZCMTSIONOX-UHFFFAOYSA-N | PL pro |
| -9.1 | 6vxx | DB11430 | Monensin | GAOZTHIDHYLHMS-KEOBGNEYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB00450 | Droperidol | RMEDXOLNCUSCGS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB12796 | MRX-I | SULYVXZZUMRQAX-NSHDSACASA-N | 3CL pro |
| -9.1 | 6crv | DB01184 | Domperidone | FGXWKSZFVQUSTL-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | PL pro |
| -9.1 | 6cs2 | DB06945 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide | FOSWRYKPHVPIDJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB14625 | Meprednisone acetate | RZAMUHXEOMZXET-ABQXZQTJSA-N | PL pro |
| -9.1 | 6m3m | DB07257 | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione | WHMQZCPGFZBLBG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB03744 | Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate | RONLONYAIBUEKT-IBGZPJMESA-N | 3CL pro |
| -9.1 | 6m3m | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB13997 | Baloxavir marboxil | RZVPBGBYGMDSBG-GGAORHGYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lxt | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6vxs | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6lxt | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6vxs | DB04405 | 2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid | AQYSXARQCHHHLK-NRFANRHFSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m2n | DB11864 | Preladenant | DTYWJKSSUANMHD-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxs | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w9c | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB04793 | 1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol | DKBAWRNTUZFJKV-XMTFNYHQSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB12155 | Napabucasin | DPHUWDIXHNQOSY-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB12721 | RO-5028442 | QZXVLRCMAHJVIP-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9c | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9c | DB12805 | Ataciguat | PQHLRGARXNPFCF-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB04797 | Triazolopyridine | OVCXRBARSPBVMC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB01526 | 4-Androstenediol | BTTWKVFKBPAFDK-LOVVWNRFSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB12904 | ZSTK-474 | HGVNLRPZOWWDKD-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9c | DB12952 | Methylprednisone | SVYCRJXQZUCUND-PQXSVQADSA-N | PL pro |
| -9.1 | 6w9c | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | PL pro |
| -9.1 | 6w9c | DB12986 | VS-5584 | QYBGBLQCOOISAR-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m2n | DB12744 | CGI-1842 | ZXBFYBLSJMEBEP-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 7bv1 | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB13126 | BMS-986115 | SRJNRAQUSAVENA-GSHUGGBRSA-N | PL pro |
| -9.1 | 6vxx | DB11886 | Infigratinib | QADPYRIHXKWUSV-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB01469 | Acetorphine | LFYBMMHFJIAKFE-PMEKXCSPSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB07426 | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | NWIARQRYIRVYCM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB07423 | (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | YVXVTLGIDOACBJ-SFHVURJKSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB01450 | Dihydroetorphine | BRTSNYPDACNMIP-FAWZKKEFSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB07415 | 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine | RFLOFHKRBGKCOB-AWEZNQCLSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB01431 | Allylestrenol | ATXHVCQZZJYMCF-XUDSTZEESA-N | spike glycoprotein |
| -9.1 | 6w9c | DB13393 | Emetine | AUVVAXYIELKVAI-CKBKHPSWSA-N | PL pro |
| -9.1 | 6vxx | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB04023 | Guanosine 5'-(Trihydrogen Diphosphate), P'-D-Mannopyranosyl Ester | DNBSDUDYNPJVCN-ZXTXFPBHSA-N | 3CL pro |
| -9.1 | 6m71 | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB12149 | S-3304 | YWCLDDLVLSQGSZ-JOCHJYFZSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB01586 | Ursodeoxycholic acid | RUDATBOHQWOJDD-UZVSRGJWSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB07027 | D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide | JGZSVYZIJHGHMA-MOPGFXCFSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB14669 | Betamethasone phosphate | VQODGRNSFPNSQE-DVTGEIKXSA-N | PL pro |
| -9.1 | 7bv1 | DB09231 | Benidipine | QZVNQOLPLYWLHQ-ZEQKJWHPSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB11824 | Tofogliflozin | VWVKUNOPTJGDOB-BDHVOXNPSA-N | spike glycoprotein |
| -9.1 | 6crv | DB01061 | Azlocillin | JTWOMNBEOCYFNV-NFFDBFGFSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | PL pro |
| -9.1 | 6crv | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6cs2 | DB07066 | 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | LJAHIGGEXIWVJG-LLVKDONJSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB14846 | Bimiralisib | ADGGYDAFIHSYFI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB11979 | Elagolix | HEAUOKZIVMZVQL-VWLOTQADSA-N | PL pro |
| -9.1 | 6vxx | DB09053 | Ibrutinib | XYFPWWZEPKGCCK-GOSISDBHSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB00528 | Lercanidipine | ZDXUKAKRHYTAKV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m71 | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 7bv1 | DB08497 | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | NKBDSMREMMRFSI-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB12877 | Oxatomide | BAINIUMDFURPJM-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6cs2 | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m71 | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB08834 | Tauroursodeoxycholic acid | BHTRKEVKTKCXOH-LBSADWJPSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB12459 | Belotecan | LNHWXBUNXOXMRL-VWLOTQADSA-N | PL pro |
| -9.1 | 6w9c | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB07064 | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE | HPVCRUIDFODATB-LJQANCHMSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | PL pro |
| -9.1 | 6w9c | DB12494 | SGI-1776 | MHXGEROHKGDZGO-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB07061 | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL | AXYFCRIRLKSCRR-SFHVURJKSA-N | nucleocapsid protein |
| -9.1 | 6lxt | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6w9c | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB07054 | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | OSCWQKTUILTARV-MRXNPFEDSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB07049 | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine | SOFGQQQVQZQJFS-MRXNPFEDSA-N | nucleocapsid protein |
| -9.1 | 6m71 | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB12553 | Fluocinolone | UUOUOERPONYGOS-CLCRDYEYSA-N | PL pro |
| -9.1 | 6vxs | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB07133 | D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide | CHKWABXWPATIIG-UXHICEINSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | spike glycoprotein |
| -9.1 | 6crv | DB14097 | 13-cis-12-(3'-Carboxyphenyl)retinoic acid | XKKDQOHDTASHCE-PAZAWXFKSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB09171 | β-Methylfentanyl | UXIGUKSHASXDNI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | S2 unit |
| -9.1 | 6cs2 | DB08360 | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | BIFHJPUTQBOBGJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | PL pro |
| -9.1 | 6cs2 | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB14802 | ONO-2952 | ZBQMTQGDBFZUBG-NRFANRHFSA-N | PL pro |
| -9.1 | 6w9c | DB14876 | TAS-116 | NVVPMZUGELHVMH-UHFFFAOYSA-N | PL pro |
| -9.1 | 6crv | DB11969 | Uprosertib | AXTAPYRUEKNRBA-JTQLQIEISA-N | spike glycoprotein |
| -9.1 | 6m71 | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB07212 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE | NNGZRCYXFBHMRM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6cs2 | DB06999 | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | YZDJQTHVDDOVHR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m71 | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB14681 | Cortisone | MFYSYFVPBJMHGN-ZPOLXVRWSA-N | PL pro |
| -9.1 | 6w9c | DB15108 | Tipranavir C-14 | SUJUHGSWHZTSEU-MWQIXQBFSA-N | PL pro |
| -9.1 | 6w9c | DB15126 | IMG-7289 | KQKBMHGOHXOHTD-KKUQBAQOSA-N | PL pro |
| -9.1 | 6m71 | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lxt | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | S2 unit |
| -9.1 | 6cs2 | DB08353 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | NCVMTHVSAJMOPI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB15362 | LSZ-102 | SJXNPGGVGZXKKI-NYYWCZLTSA-N | PL pro |
| -9.1 | 6vxs | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | ribose phosphatase of NSP3 |
| -9.1 | 6lxt | DB08973 | Fluclorolone acetonide | NJNWEGFJCGYWQT-VSXGLTOVSA-N | S2 unit |
| -9.1 | 6vxx | DB12015 | Alpelisib | STUWGJZDJHPWGZ-LBPRGKRZSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB11992 | Omarigliptin | MKMPWKUAHLTIBJ-ISTRZQFTSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB02341 | Mdl 101,146 | XQAMVCHQGHAELT-YPAWHYETSA-N | PL pro |
| -9.1 | 6crv | DB01082 | Streptomycin | UCSJYZPVAKXKNQ-HZYVHMACSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB08942 | Isoxicam | YYUAYBYLJSNDCX-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB08973 | Fluclorolone acetonide | NJNWEGFJCGYWQT-VSXGLTOVSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | PL pro |
| -9.1 | 6m2n | DB06228 | Rivaroxaban | KGFYHTZWPPHNLQ-AWEZNQCLSA-N | 3CL pro |
| -9.1 | 6crv | DB12236 | Bexagliflozin | BTCRKOKVYTVOLU-SJSRKZJXSA-N | spike glycoprotein |
| -9.1 | 6crv | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB11901 | Apalutamide | HJBWBFZLDZWPHF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxs | DB12307 | Foretinib | CXQHYVUVSFXTMY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6vxs | DB12303 | Motolimod | QSPOQCXMGPDIHI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB15221 | PF-06260414 | ZKAVFOXYJCREBQ-SNVBAGLBSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB03383 | 5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide | YDCGVASFVACWKF-NRFANRHFSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB07578 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE | WUOLYUKMMRCXGH-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 7bv1 | DB01792 | Adenylyl-3'-5'-Phospho-Uridine-3'-Monophosphate | FZCSEXOMUJFOHQ-KPKSGTNCSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6cs2 | DB00481 | Raloxifene | GZUITABIAKMVPG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB03893 | Thionicotinamide-Adenine-Dinucleotide | UQYPZLRUJKCREN-NNYOXOHSSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB02691 | Glycocholic acid | RFDAIACWWDREDC-FRVQLJSFSA-M | spike glycoprotein |
| -9.1 | 6m3m | DB12574 | LY-295501 | VAMFSFIPDOODFH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB12555 | Nelotanserin | COSPVUFTLGQDQL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB12543 | Samidorphan | RYIDHLJADOKWFM-MAODMQOUSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m71 | DB14664 | Difluocortolone pivalate | UWGRWFCLGQWKPR-GSTUPEFVSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w4h | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB15346 | GLPG-1205 | IRBAWVGZNJIROV-SFHVURJKSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB09219 | Bisoxatin | BPKUDUSVDVLOPY-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB09223 | Blonanserin | XVGOZDAJGBALKS-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB05100 | Prinomastat | YKPYIPVDTNNYCN-INIZCTEOSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB01338 | Pipecuronium | OWWLUIWOFHMHOQ-XGHATYIMSA-N | nucleocapsid protein |
| -9.1 | 6m71 | DB06409 | Morphine glucuronide | GNJCUHZOSOYIEC-GAROZEBRSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | spike glycoprotein |
| -9.1 | 6lzg | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6vxs | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | ribose phosphatase of NSP3 |
| -9.1 | 6vxx | DB08121 | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | TZTPJJNNACUQQR-FQEVSTJZSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m2n | DB07765 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | UKCFUFHREWUXJJ-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w4h | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6lxt | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6w4h | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB11963 | Dacomitinib | LVXJQMNHJWSHET-AATRIKPKSA-N | 3CL pro |
| -9.1 | 6m2n | DB07717 | (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | AJODXHGZHBERGJ-JLYQOUBASA-N | 3CL pro |
| -9.1 | 6crv | DB06137 | KX-01 | HUNGUWOZPQBXGX-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB12850 | Etalocib | YFIZRWPXUYFCSN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB06117 | 1alpha,24S-Dihydroxyvitamin D2 | ODZFJAXAEXQSKL-WRJREGAQSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB12252 | PG-701 | OKRSVUYYCJPECG-LFGMFVMYSA-N | 3CL pro |
| -9.1 | 7bv1 | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB08150 | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium | RZIDZIGAXXNODG-UHFFFAOYSA-O | spike glycoprotein |
| -9.1 | 6crv | DB09171 | ??-Methylfentanyl | UXIGUKSHASXDNI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxs | DB12420 | Diazepinomicin | SALVHVNECODMJP-GNUCVDFRSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB08152 | {(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate | ONXGIEJBNQLITK-INIZCTEOSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | 3CL pro |
| -9.1 | 6m2n | DB14069 | ONT-093 | RSJCLODJSVZNQA-BQYQJAHWSA-N | 3CL pro |
| -9.1 | 7bv1 | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB12764 | ABC-294640 | CAOTVXGYTWCKQE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB12394 | Eleclazine | YNUAEEJQYHYLMS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB02341 | Mdl 101,146 | XQAMVCHQGHAELT-YPAWHYETSA-N | nucleocapsid protein |
| -9.1 | 6lzg | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6vxx | DB03523 | Brequinar | PHEZJEYUWHETKO-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB07937 | 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine | UGZWPZWADDDTRN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | 3CL pro |
| -9.1 | 6vxs | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m2n | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | 3CL pro |
| -9.1 | 6m3m | DB12459 | Belotecan | LNHWXBUNXOXMRL-VWLOTQADSA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB13240 | Cymarin | XQCGNURMLWFQJR-ZNDDOCHDSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB07395 | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | NWQGDIBCFLDHDO-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxx | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB04823 | Oxyphenisatin | SJDACOMXKWHBOW-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB04797 | Triazolopyridine | OVCXRBARSPBVMC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB04792 | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | CDEVHSIVANGYRI-XMTFNYHQSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB07359 | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide | SJTQKYKXCYVFHX-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB11426 | Marbofloxacin | BPFYOAJNDMUVBL-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxx | DB02424 | Geldanamycin | QTQAWLPCGQOSGP-KSRBKZBZSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB14898 | Retagliptin | WIIAMRXFUJLYEF-SNVBAGLBSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB02375 | Myricetin | IKMDFBPHZNJCSN-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB15105 | PF-06751979 | ZLZUHACSRMOLLV-RAALSFIWSA-N | 3CL pro |
| -9.1 | 6m3m | DB12203 | Tozadenant | XNBRWUQWSKXMPW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB04716 | 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE | VNDWQCSOSCCWIP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | spike glycoprotein |
| -9.1 | 6lzg | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6crv | DB04679 | H TYPE I TRISACCHARIDE | MGSDFCKWGHNUSM-QVPNGJTFSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB12165 | Presatovir | GOFXWTVKPWJNGD-UWJYYQICSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB02123 | Glycochenodeoxycholic Acid | GHCZAUBVMUEKKP-GYPHWSFCSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w4h | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB02098 | Adenosine-2'-5'-Diphosphate | AEOBEOJCBAYXBA-KQYNXXCUSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB02082 | Phosphoaminophosphonic Acid Guanylate Ester | UQABYHGXWYXDTK-UUOKFMHZSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB09330 | Osimertinib | DUYJMQONPNNFPI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lzg | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6vxx | DB02505 | N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl) | JJVQUUYZGJWBPW-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB02915 | 4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine | MEZFDQUDLQCVNX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB05016 | Ataluren | OOUGLTULBSNHNF-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | nucleocapsid protein |
| -9.1 | 6vxs | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w4h | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6w4h | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6lxt | DB13044 | Gossypol | QBKSWRVVCFFDOT-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6crv | DB12295 | Evodenoson | SQJXTUJMBYVDBB-RQXXJAGISA-N | spike glycoprotein |
| -9.1 | 6w4h | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB02836 | Guanosine 5'-Diphosphate 2':3'-Cyclic Monophosphate | NGYWTCOGOZELRS-UUOKFMHZSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB12375 | Oglemilast | OKFDRAHPFKMAJH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB04898 | Ximelagatran | ZXIBCJHYVWYIKI-PZJWPPBQSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB12361 | Piclozotan | URMTUEWUIGOJBW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6lzg | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6m3m | DB01944 | (S)-blebbistatin | LZAXPYOBKSJSEX-GOSISDBHSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB15281 | Ravoxertinib | RZUOCXOYPYGSKL-GOSISDBHSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB07426 | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | NWIARQRYIRVYCM-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w4h | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | nsp16 - nsp10 |
| -9.1 | 6w4h | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB15003 | PF-06700841 | BUWBRTXGQRBBHG-MJBXVCDLSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | nsp16 - nsp10 |
| -9.1 | 6w4h | DB13060 | CEP-37440 | BCSHRERPHLTPEE-NRFANRHFSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB07406 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE | QWFFPYQWUWLDBV-NSHDSACASA-N | 3CL pro |
| -9.1 | 6m71 | DB11442 | Oleandomycin | RZPAKFUAFGMUPI-QESOVKLGSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxs | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | ribose phosphatase of NSP3 |
| -9.1 | 7bv1 | DB06362 | Becatecarin | JSKFWUPVIZYJMR-UDOAKELVSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 7bv1 | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB12966 | Falnidamol | FTFRZXFNZVCRSK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB06160 | Garenoxacin | NJDRXTDGYFKORP-LLVKDONJSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB06159 | Rubitecan | VHXNKPBCCMUMSW-FQEVSTJZSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB12904 | ZSTK-474 | HGVNLRPZOWWDKD-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB03141 | 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril | UYUWNNRWESUYOB-FIRIVFDPSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w4h | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB13796 | Dibunate | WBEBQCINXJDZCX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB06875 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | NSSOSHDCWCMNDM-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB07843 | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE | LTJNKFUIOOJXNJ-WFASDCNBSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB13729 | Camostat | XASIMHXSUQUHLV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB12939 | Nikkomycin Z | WWJFFVUVFNBJTN-VHDFTHOZSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB14844 | ONC-201 | VLULRUCCHYVXOH-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6crv | DB12941 | ODM-201 | BLIJXOOIHRSQRB-PXYINDEMSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB12135 | Elubrixin | YQYFEGTYCUQBEI-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxs | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6vxs | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w4h | DB07021 | (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine | SOSYXEPELJIJHZ-RNCFNFMXSA-N | nsp16 - nsp10 |
| -9.1 | 6w4h | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6w4h | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | nsp16 - nsp10 |
| -9.1 | 6w4h | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxs | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | ribose phosphatase of NSP3 |
| -9.1 | 7bv1 | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lxt | DB07144 | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | XZXVRKHUCSXVBM-AWEZNQCLSA-N | S2 unit |
| -9.1 | 6crv | DB08997 | Dexetimide | LQQIVYSCPWCSSD-HSZRJFAPSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxs | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m3m | DB13648 | Alcuronium | MUQUYTSLDVKIOF-CHJKCJHBSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB13857 | Demegestone | JWAHBTQSSMYISL-MHTWAQMVSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB12694 | CE-326597 | UBNMGTSDHSQBEL-PMERELPUSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB08191 | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | KSFDVNIKNYXUIP-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m71 | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lxt | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6vxx | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | nsp16 - nsp10 |
| -9.1 | 6w4h | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB03678 | (6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine | WVGZKPGUHOZIJQ-HNNXBMFYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | nsp16 - nsp10 |
| -9.1 | 6vxx | DB07831 | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | SHSORWZDEKFFLP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB00845 | Clofazimine | WDQPAMHFFCXSNU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w4h | DB05412 | Talmapimod | ZMELOYOKMZBMRB-DLBZAZTESA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB06985 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | MEAQCLPMSVEOQF-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB08043 | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA | DDDLGNOZDKDSEG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB12877 | Oxatomide | BAINIUMDFURPJM-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB06972 | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | TZCXQSNBTXDAJG-QFIPXVFZSA-N | spike glycoprotein |
| -9.1 | 6m71 | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxs | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m2n | DB08138 | {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | BDRDBXXWQDFXEC-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6crv | DB06955 | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | OAMCCJASDLMTOO-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB12434 | Steviolbioside | OMHUCGDTACNQEX-OSHKXICASA-N | S2 unit |
| -9.1 | 6crv | DB06948 | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE | XWWRLKIBRPJQJX-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB12122 | Figopitant | HUTHJVYJUPXHDF-DEOSSOPVSA-N | 3CL pro |
| -9.1 | 7bv1 | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lxt | DB14723 | Larotrectinib | NYNZQNWKBKUAII-KBXCAEBGSA-N | S2 unit |
| -9.1 | 7bv1 | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w4h | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | nsp16 - nsp10 |
| -9.1 | 6vxs | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m2n | DB08005 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide | ARMFMDYRYOKSOW-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB12203 | Tozadenant | XNBRWUQWSKXMPW-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w4h | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB03742 | Compound 4-D | TWZNCTCQAGRUGQ-RRPNLBNLSA-N | nucleocapsid protein |
| -9.1 | 6lzg | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6vxx | DB04432 | ZK-805623 | ZXIHYCYAQUQHSG-UHFFFAOYSA-O | spike glycoprotein |
| -9.1 | 6vxx | DB04131 | 10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione | BLGDWFJQIHBUJY-NWJGULHDSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m2n | DB07835 | N-3-cyclopropyl-N-4-'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide | BOPSUAHGQHFKGG-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6crv | DB06460 | Enrasentan | GLCKXJLCYIJMRB-UPRLRBBYSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | S2 unit |
| -9.1 | 6m2n | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB14899 | Tavapadon | AKQXQLUNFKDZBN-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6lxt | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6m2n | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6lxt | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6vxs | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w4h | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | nsp16 - nsp10 |
| -9.1 | 6lxt | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | S2 unit |
| -9.1 | 6crv | DB09078 | Lenvatinib | WOSKHXYHFSIKNG-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB13088 | AZD-0424 | MVWATCATLSSVBH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6w4h | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB06367 | Relacatib | BWYBBMQLUKXECQ-GIVPXCGWSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB15242 | MK-0533 | STWITCBWQHTJFJ-XMMPIXPASA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB06274 | Alvimopan | UPNUIXSCZBYVBB-JVFUWBCBSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB14152 | Ginsenosides | NLHQJXWYMZLQJY-SWIZOJJJSA-N | 3CL pro |
| -9.1 | 6lxt | DB03141 | 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril | UYUWNNRWESUYOB-FIRIVFDPSA-N | S2 unit |
| -9.1 | 6cs2 | DB15266 | TAK-580 | VWMJHAFYPMOMGF-ZCFIWIBFSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB03714 | 4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid | OWWCIKSGGKYNHT-ZDUSSCGKSA-N | nucleocapsid protein |
| -9.1 | 6crv | DB08094 | (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE | JRNJNYBQQYBCLE-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB06800 | Methylnaltrexone | JVLBPIPGETUEET-WIXLDOGYSA-O | spike glycoprotein |
| -9.1 | 6w4h | DB07215 | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID | ILUPZUOBHCUBKB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6cs2 | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB13602 | Promegestone | QFFCYTLOTYIJMR-XMGTWHOFSA-N | nucleocapsid protein |
| -9.1 | 6m71 | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB07855 | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | CWHMAWBXRCDOEB-HNNXBMFYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB13591 | Metopimazine | BQDBKDMTIJBJLA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB07856 | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE | HPWBHQIUIBFTQC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB06746 | ginkgolide-J | LMEHVEUFNRJAAV-UKWFQYJJSA-N | spike glycoprotein |
| -9.1 | 6crv | DB06745 | ginkgolide-C | AMOGMTLMADGEOQ-DTDWCABLSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB04850 | Posizolid | HBUJYEUPIIJJOS-PBHICJAKSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6vxx | DB02058 | SU4984 | AZGZGRJOCKSSHA-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6w4h | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB07969 | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | QNCYYRHIUFGGJX-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxx | DB04797 | Triazolopyridine | OVCXRBARSPBVMC-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB06654 | Safinamide | NEMGRZFTLSKBAP-LBPRGKRZSA-N | spike glycoprotein |
| -9.1 | 6crv | DB06649 | Priralfinamide | BHJIBOFHEFDSAU-LBPRGKRZSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB12858 | LY-377604 | RBSGUQYXRDKPAE-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6vxx | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6crv | DB08087 | 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE | NHBIWLQQJPSMNP-CABCVRRESA-N | spike glycoprotein |
| -9.1 | 6m3m | DB03696 | Lanosterol | CAHGCLMLTWQZNJ-BQNIITSRSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | spike glycoprotein |
| -9.1 | 6crv | DB06590 | Ceftaroline fosamil | ZCCUWMICIWSJIX-NQJJCJBVSA-N | spike glycoprotein |
| -9.1 | 6lxt | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6m3m | DB13327 | Picotamide | KYWCWBXGRWWINE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB07973 | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | GIPCBGDQVGKMPO-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w4h | DB14845 | Filgotinib | RIJLVEAXPNLDTC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB12284 | LY-2608204 | QIIVJLHCZUTGSD-CUBQBAPOSA-N | 3CL pro |
| -9.1 | 6w9c | DB00932 | Tipranavir | SUJUHGSWHZTSEU-FYBSXPHGSA-N | PL pro |
| -9.1 | 6w9c | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m2n | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | 3CL pro |
| -9.1 | 7bv1 | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m2n | DB12394 | Eleclazine | YNUAEEJQYHYLMS-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB06743 | Ginkgolide A | FPUXKXIZEIDQKW-VKMVSBOZSA-N | 3CL pro |
| -9.1 | 6m71 | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6cs2 | DB14844 | ONC-201 | VLULRUCCHYVXOH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB12408 | PF-03635659 | WGOJWDWKHJHXSV-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w9c | DB01405 | Temafloxacin | QKDHBVNJCZBTMR-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m2n | DB06744 | ginkgolide-B | SQOJOAFXDQDRGF-MMQTXUMRSA-N | 3CL pro |
| -9.1 | 6m2n | DB11485 | Ceftiofur | ZBHXIWJRIFEVQY-IHMPYVIRSA-N | 3CL pro |
| -9.1 | 6cs2 | DB04761 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE] | NHPBWKYFMTXWAA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m71 | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6cs2 | DB08536 | 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine | IBUPHWYGVDAASU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB00635 | Prednisone | XOFYZVNMUHMLCC-ZPOLXVRWSA-N | 3CL pro |
| -9.1 | 6crv | DB03984 | Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide | MWTQNXVXPLTHJB-YADHBBJMSA-N | spike glycoprotein |
| -9.1 | 6crv | DB12275 | Seviteronel | ZBRAJOQFSNYJMF-SFHVURJKSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w9c | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | PL pro |
| -9.1 | 6m71 | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxs | DB00342 | Terfenadine | GUGOEEXESWIERI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | spike glycoprotein |
| -9.1 | 6crv | DB03921 | 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline | IBCXZJCWDGCXQT-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB03507 | 6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One | UXGUZFZBZPPZGL-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB07081 | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | FDEXEPZGMKFCTG-PSASIEDQSA-N | 3CL pro |
| -9.1 | 6w9c | DB03744 | Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate | RONLONYAIBUEKT-IBGZPJMESA-N | PL pro |
| -9.1 | 6m2n | DB00547 | Desoximetasone | VWVSBHGCDBMOOT-IIEHVVJPSA-N | 3CL pro |
| -9.1 | 6vxs | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6crv | DB03476 | Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine | NQRIWXVAIWPBEM-OALUTQOASA-N | spike glycoprotein |
| -9.1 | 6crv | DB08307 | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE | PMHVFNYNPNKNRO-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB12467 | TU-100 | KAYRGFYBCCETPE-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6crv | DB13242 | Bucladesine | CJGYSWNGNKCJSB-YVLZZHOMSA-N | spike glycoprotein |
| -9.1 | 6crv | DB13252 | Tropatepine | JOQKFRLFXDPXHX-HDICACEKSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB14982 | Miransertib | HNFMVVHMKGFCMB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxx | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB12585 | Ondelopran | QWNDOCKIKKQJNN-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB02812 | (2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide | VXDAVYUFYPFGDX-SNPRPXQTSA-N | PL pro |
| -9.1 | 6w9c | DB00972 | Azelastine | MBUVEWMHONZEQD-UHFFFAOYSA-N | PL pro |
| -9.1 | 6vxx | DB01469 | Acetorphine | LFYBMMHFJIAKFE-PMEKXCSPSA-N | spike glycoprotein |
| -9.1 | 6crv | DB13266 | Cefatrizine | UOCJDOLVGGIYIQ-PBFPGSCMSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB01061 | Azlocillin | JTWOMNBEOCYFNV-NFFDBFGFSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB14669 | Betamethasone phosphate | VQODGRNSFPNSQE-DVTGEIKXSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB01061 | Azlocillin | JTWOMNBEOCYFNV-NFFDBFGFSA-N | PL pro |
| -9.1 | 6m3m | DB09200 | Rivoglitazone | XMSXOLDPMGMWTH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | PL pro |
| -9.1 | 6m3m | DB11824 | Tofogliflozin | VWVKUNOPTJGDOB-BDHVOXNPSA-N | nucleocapsid protein |
| -9.1 | 6cs2 | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB03671 | 4-(3,12,14-Trihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | SHIBSTMRCDJXLN-KCZCNTNESA-N | PL pro |
| -9.1 | 6crv | DB12253 | GDC-0810 | BURHGPHDEVGCEZ-KJGLQBJMSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB07006 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE | AOGOZJCRIFBTTN-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB13252 | Tropatepine | JOQKFRLFXDPXHX-HDICACEKSA-N | 3CL pro |
| -9.1 | 6m3m | DB11457 | Rotenone | JUVIOZPCNVVQFO-HBGVWJBISA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | PL pro |
| -9.1 | 6lxt | DB05470 | VX-702 | FYSRKRZDBHOFAY-UHFFFAOYSA-N | S2 unit |
| -9.1 | 6w9c | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | PL pro |
| -9.1 | 6crv | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | spike glycoprotein |
| -9.1 | 6crv | DB11577 | Indigotindisulfonic Acid | CFZXDJWFRVEWSR-BUHFOSPRSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB15275 | GDC-0077 | SGEUNORSOZVTOL-CABZTGNLSA-N | 3CL pro |
| -9.1 | 6vxx | DB00751 | Epinastine | WHWZLSFABNNENI-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB06916 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE | LBCGUKCXRVUULK-QGZVFWFLSA-N | 3CL pro |
| -9.1 | 6cs2 | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m2n | DB11922 | Danirixin | NGYNBSHYFOFVLS-LBPRGKRZSA-N | 3CL pro |
| -9.1 | 6w9c | DB02519 | Indirubin-5-Sulphonate | IHBOEHLUIBMBMY-YPKPFQOOSA-N | PL pro |
| -9.1 | 6vxx | DB13865 | Dehydroemetine | XXLZPUYGHQWHRN-RPBOFIJWSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB15265 | USL-311 | XNUNVQKARNSSEO-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w9c | DB02587 | Colforsin | OHCQJHSOBUTRHG-KGGHGJDLSA-N | PL pro |
| -9.1 | 6cs2 | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB04696 | 4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN | GFGZCXHXQCQRFP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6cs2 | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6w9c | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | PL pro |
| -9.1 | 6cs2 | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB04232 | N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide | DNGGPLKVDUPXFN-GOSISDBHSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6lzg | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6w9c | DB03159 | CRA_8696 | GAVRMVQHHVMXFD-UHFFFAOYSA-N | PL pro |
| -9.1 | 7bv1 | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m71 | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB01764 | Dalfopristin | SUYRLXYYZQTJHF-VMBLUXKRSA-N | PL pro |
| -9.1 | 6vxx | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | spike glycoprotein |
| -9.1 | 7bv1 | DB00973 | Ezetimibe | OLNTVTPDXPETLC-XPWALMASSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w4h | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | nsp16 - nsp10 |
| -9.1 | 6m3m | DB01793 | SB-409513 | ONVZFCHLOZUXRP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6vxx | DB01067 | Glipizide | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB11491 | Sarafloxacin | XBHBWNFJWIASRO-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | PL pro |
| -9.1 | 6w9c | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | PL pro |
| -9.1 | 6w9c | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | PL pro |
| -9.1 | 6m2n | DB00663 | Flumethasone | WXURHACBFYSXBI-GQKYHHCASA-N | 3CL pro |
| -9.1 | 6w9c | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | PL pro |
| -9.1 | 6m3m | DB11619 | Gestrinone | BJJXHLWLUDYTGC-ANULTFPQSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB15250 | Vercirnon | JRWROCIMSDXGOZ-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB12420 | Diazepinomicin | SALVHVNECODMJP-GNUCVDFRSA-N | 3CL pro |
| -9.1 | 7bv1 | DB00948 | Mezlocillin | YPBATNHYBCGSSN-VWPFQQQWSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB03619 | Deoxycholic Acid | KXGVEGMKQFWNSR-LLQZFEROSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB02177 | 1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine | GKGJFUXSTSUKPB-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB11512 | Dihydrostreptomycin | ASXBYYWOLISCLQ-HZYVHMACSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB12447 | Nadifloxacin | JYJTVFIEFKZWCJ-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w9c | DB02217 | Dpb-T | WTZFKHNHHRPQOU-WSMBLCCSSA-N | PL pro |
| -9.1 | 6m2n | DB06948 | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE | XWWRLKIBRPJQJX-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6w9c | DB03173 | CRA_10433 | CFSQPEBVGUSQII-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | nucleocapsid protein |
| -9.1 | 6lxt | DB04131 | 10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione | BLGDWFJQIHBUJY-NWJGULHDSA-N | S2 unit |
| -9.1 | 6lzg | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6vxx | DB14679 | Quingestanol acetate | FLGJKPPXEKYCBY-AKCFYGDASA-N | spike glycoprotein |
| -9.1 | 6vxs | DB11892 | Prulifloxacin | PWNMXPDKBYZCOO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6vxs | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | ribose phosphatase of NSP3 |
| -9.1 | 7bv1 | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB00307 | Bexarotene | NAVMQTYZDKMPEU-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB12238 | MK-0777 | QKIWQBLNTSQOLY-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB05511 | Piclidenoson | HUJXGQILHAUCCV-MOROJQBDSA-N | spike glycoprotein |
| -9.1 | 6w9c | DB00278 | Argatroban | KXNPVXPOPUZYGB-IOVMHBDKSA-N | PL pro |
| -9.1 | 6vxx | DB05482 | 7-ethyl-10-hydroxycamptothecin | FJHBVJOVLFPMQE-QFIPXVFZSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB01289 | Glisoxepide | ZKUDBRCEOBOWLF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxs | DB11871 | PF-00610355 | YPHDIMUXXABSSO-YTTGMZPUSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6cs2 | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB02873 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One | YAWZIQKDHQIHOS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB07204 | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE | DQIXTEDFNFZMCM-SFHVURJKSA-N | 3CL pro |
| -9.1 | 6w9c | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | PL pro |
| -9.1 | 6lxt | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | S2 unit |
| -9.1 | 6vxx | DB00303 | Ertapenem | JUZNIMUFDBIJCM-ANEDZVCMSA-N | spike glycoprotein |
| -9.1 | 6m2n | DB12336 | GDC-0917 | HSHPBORBOJIXSQ-HARLFGEKSA-N | 3CL pro |
| -9.1 | 6vxx | DB01933 | 7-Hydroxystaurosporine | PBCZSGKMGDDXIJ-HQCWYSJUSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB05316 | Pimavanserin | RKEWSXXUOLRFBX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB00197 | Troglitazone | GXPHKUHSUJUWKP-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m2n | DB07226 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE | JWZVNUNTFNELHL-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m2n | DB07229 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE | MINVOLKUPZPDNX-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6vxs | DB11913 | LY-2090314 | HRJWTAWVFDCTGO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6lzg | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6lzg | DB08064 | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | NTMADESEDXKNFZ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6m3m | DB12048 | Savolitinib | XYDNMOZJKOGZLS-NSHDSACASA-N | nucleocapsid protein |
| -9.1 | 6crv | DB03351 | Sri-9439 | KMSATRJZEXNGDP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxs | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6w4h | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB00455 | Loratadine | JCCNYMKQOSZNPW-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 7bv1 | DB00568 | Cinnarizine | DERZBLKQOCDDDZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w4h | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | nsp16 - nsp10 |
| -9.1 | 6vxs | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.1 | 6m2n | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6m71 | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6lzg | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6m71 | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6vxx | DB14810 | AZD-1656 | FJEJHJINOKKDCW-INIZCTEOSA-N | spike glycoprotein |
| -9.1 | 6w4h | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | nsp16 - nsp10 |
| -9.1 | 6m2n | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | 3CL pro |
| -9.1 | 6lu7 | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | Replicase polyprotein 1ab |
| -9.1 | 6w9c | DB00481 | Raloxifene | GZUITABIAKMVPG-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m2n | DB12341 | LY-2456302 | ZHPMYDSXGRRERG-DEOSSOPVSA-N | 3CL pro |
| -9.1 | 6w9c | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m2n | DB07186 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE | TYYNSDQVFIOSFH-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 7bv1 | DB01328 | Cefonicid | DYAIAHUQIPBDIP-AXAPSJFSSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6w9c | DB00590 | Doxazosin | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | PL pro |
| -9.1 | 6m3m | DB12101 | CC-220 | IXZOHGPZAQLIBH-NRFANRHFSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB00605 | Sulindac | MLKXDPUZXIRXEP-MFOYZWKCSA-N | PL pro |
| -9.1 | 6w4h | DB14937 | MK-8666 | CODQKEMYZZKQAE-QPVYNBJUSA-N | nsp16 - nsp10 |
| -9.1 | 6lu7 | DB12411 | R-428 | KXMZDGSRSGHMMK-VWLOTQADSA-N | Replicase polyprotein 1ab |
| -9.1 | 6w4h | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.1 | 6w9c | DB00620 | Triamcinolone | GFNANZIMVAIWHM-OBYCQNJPSA-N | PL pro |
| -9.1 | 6cs2 | DB07856 | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE | HPWBHQIUIBFTQC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6crv | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB01774 | Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester | WFPZSXYXPSUOPY-ROYWQJLOSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB12127 | Sultamicillin | OPYGFNJSCUDTBT-PMLPCWDUSA-N | nucleocapsid protein |
| -9.1 | 6w9c | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | PL pro |
| -9.1 | 6crv | DB15449 | Citarinostat | VLIUIBXPEDFJRF-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB09178 | Phenaridine | ODPKHHGQKIYCTJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m2n | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | 3CL pro |
| -9.1 | 6cs2 | DB12272 | Vidupiprant | PFWVGKROPKKEDW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6vxx | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6m3m | DB01768 | Methylumbelliferyl Sialic Acid | KKDWIUJBUSOPGC-GKHMPSLRSA-N | nucleocapsid protein |
| -9.1 | 6m3m | DB01420 | Testosterone propionate | PDMMFKSKQVNJMI-BLQWBTBKSA-N | nucleocapsid protein |
| -9.1 | 7bv1 | DB05408 | Emricasan | SCVHJVCATBPIHN-SJCJKPOMSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6crv | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6vxx | DB00486 | Nabilone | GECBBEABIDMGGL-RTBURBONSA-N | spike glycoprotein |
| -9.1 | 6cs2 | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.1 | 6m3m | DB01765 | (5-Oxo-5,6-Dihydro-Indolo[1,2-a]Quinazolin-7-Yl)-Acetic Acid | INSBKYCYLCEBOD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.1 | 6m71 | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.1 | 6m3m | DB11939 | Henagliflozin | HYTPDMFFHVZBOR-VNXMGFANSA-N | nucleocapsid protein |
| -9.1 | 6lu7 | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | Replicase polyprotein 1ab |
| -9.1 | 6m3m | DB09123 | Dienogest | AZFLJNIPTRTECV-FUMNGEBKSA-N | nucleocapsid protein |
| -9.1 | 6lzg | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.1 | 6vxx | DB01587 | Ketazolam | PWAJCNITSBZRBL-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB08230 | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | ARSRJFRKVXALTF-UHFFFAOYSA-N | spike glycoprotein |
| -9.1 | 6crv | DB04301 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate | ZLAHDRAQCSQPOC-UHFFFAOYSA-P | spike glycoprotein |
| -9.0 | 6vxx | DB11730 | Ribociclib | RHXHGRAEPCAFML-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB00354 | Buclizine | MOYGZHXDRJNJEP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6cs2 | DB01219 | Dantrolene | OZOMQRBLCMDCEG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m71 | DB03276 | 4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid | RHYFMOCFCFUTNH-GZNVFMSSSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB08345 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | IWUUKHQIKFHWIW-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB12477 | Perfluoro tert-butylcyclohexane | VLTXBOGHSBHSAC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | S2 unit |
| -9.0 | 6m2n | DB11901 | Apalutamide | HJBWBFZLDZWPHF-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB08761 | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione | NGPCLOGFGKJCBP-HOTGVXAUSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB01771 | CRA_10991 | QXAURVOBXQBPAP-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 7bv1 | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB11725 | Latrepirdine | JNODQFNWMXFMEV-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB08341 | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide | CAUFYHKGKDJMQG-HZPDHXFCSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB06420 | Annamycin | CIDNKDMVSINJCG-GKXONYSUSA-N | S2 unit |
| -9.0 | 6crv | DB08706 | (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID | RNEACARJKXYVND-MZLJFPOFSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB00251 | Terconazole | BLSQLHNBWJLIBQ-OZXSUGGESA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m71 | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB09219 | Bisoxatin | BPKUDUSVDVLOPY-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m71 | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB09095 | Difluocortolone | OGPWIDANBSLJPC-RFPWEZLHSA-N | 3CL pro |
| -9.0 | 6crv | DB08037 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide | MYBGWENAVMIGMM-GIFXNVAJSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB02732 | Nicotinamide Adenine Dinucleotide Acetone Adduct | SGHBFOOIAAJJMI-YDKVLQLQSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB09199 | Netoglitazone | PKWDZWYVIHVNKS-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m71 | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxs | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB08355 | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid | ZOBRPBVIEUWYJR-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | nucleocapsid protein |
| -9.0 | 6m71 | DB04862 | Merimepodib | JBPUGFODGPKTDW-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB12557 | FK-614 | UYGZODVVDUIDDQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB02511 | 2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine | PZWMZAFFUAWVDN-CQXYXCHQSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB11577 | Indigotindisulfonic Acid | CFZXDJWFRVEWSR-BUHFOSPRSA-N | 3CL pro |
| -9.0 | 6crv | DB08023 | N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine | HYNNWLVWJXWXFO-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB02510 | '5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine | LKVJEMXWEODCAY-JVEUSOJLSA-N | nucleocapsid protein |
| -9.0 | 6w4b | DB05984 | RAF-265 | YABJJWZLRMPFSI-UHFFFAOYSA-N | nsp9 |
| -9.0 | 6vxx | DB02319 | 5,6-Dihydroxy-Nadp | LRAVAOPKUBJONV-IVCJQJMGSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB09272 | Eluxadoline | QFNHIDANIVGXPE-FNZWTVRRSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB09230 | Azelnidipine | ZKFQEACEUNWPMT-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB08763 | [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | FSNDLCSOLUMYRH-OAHLLOKOSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB01342 | Forasartan | YONOBYIBNBCDSJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m2n | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | 3CL pro |
| -9.0 | 6cs2 | DB02732 | Nicotinamide Adenine Dinucleotide Acetone Adduct | SGHBFOOIAAJJMI-YDKVLQLQSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lxt | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6m3m | DB02527 | Cyclic adenosine monophosphate | IVOMOUWHDPKRLL-KQYNXXCUSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB07663 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | QISJEFYTLZTWIQ-CQSZACIVSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB07787 | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE | PNPFDRCIGCUCMN-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | 3CL pro |
| -9.0 | 6m2n | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB08346 | (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE | YUZYDHRGGDTZLG-DUXPYHPUSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB00845 | Clofazimine | WDQPAMHFFCXSNU-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB01765 | (5-Oxo-5,6-Dihydro-Indolo[1,2-a]Quinazolin-7-Yl)-Acetic Acid | INSBKYCYLCEBOD-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB00966 | Telmisartan | RMMXLENWKUUMAY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6lxt | DB04609 | INHIBITOR Q8467 OF DUPONT MERCK | HFLCERPZYCWLSZ-VKONIRKNSA-N | S2 unit |
| -9.0 | 6cs2 | DB01873 | Epothilone D | XOZIUKBZLSUILX-GIQCAXHBSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxs | DB00705 | Delavirdine | WHBIGIKBNXZKFE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB08743 | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE | XJNKUWDMCBZMTG-OAHLLOKOSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB07453 | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | VFMMPHCGEFXGIP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB11745 | Otenabant | UNAZAADNBYXMIV-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6vxx | DB12621 | ST-101 | QZWYXEBIQWJXAR-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB02259 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide | VSYGXLAJQDAWCZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB08204 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE | FLWABCQDXUKNQY-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB11457 | Rotenone | JUVIOZPCNVVQFO-HBGVWJBISA-N | 3CL pro |
| -9.0 | 7bv1 | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB00845 | Clofazimine | WDQPAMHFFCXSNU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB02194 | 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | ULLMMKZQNNBLRN-SANMLTNESA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB12135 | Elubrixin | YQYFEGTYCUQBEI-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | S2 unit |
| -9.0 | 7bv1 | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB12663 | Letrazuril | XQKYUBTUOHHNDV-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB07792 | (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | VUKPNWLGSLOHIF-AWEZNQCLSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB08138 | {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | BDRDBXXWQDFXEC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB04238 | N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid | GNANSBQAIRJZPA-XZOQPEGZSA-N | S2 unit |
| -9.0 | 6m3m | DB02917 | N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide | LFGYSFPVLMPUPE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB01212 | Ceftriaxone | VAAUVRVFOQPIGI-SPQHTLEESA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB01745 | N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester | JJLGQWCKMHPBEB-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB03181 | 2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione | RXQAVKWRCZYGMV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB08395 | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE | ZSOXFJURLPCSOO-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB12095 | Telotristat ethyl | MDSQOJYHHZBZKA-GBXCKJPGSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | S2 unit |
| -9.0 | 6vxx | DB15418 | AZD-9977 | MBKYLPOPYYLTNW-ZDUSSCGKSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB08499 | N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | DQXBKUVWJSZHSI-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m2n | DB14542 | Hydrocortisone phosphate | BGSOJVFOEQLVMH-VWUMJDOOSA-N | 3CL pro |
| -9.0 | 6vxx | DB08713 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL | RVZKQTQAFHEOKT-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB08224 | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL | WWSNTLOVYSRDEL-TVKPWXLESA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB12336 | GDC-0917 | HSHPBORBOJIXSQ-HARLFGEKSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6lxt | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6vxx | DB14914 | Flortaucipir F-18 | GETAAWDSFUCLBS-SJPDSGJFSA-N | spike glycoprotein |
| -9.0 | 6crv | DB12417 | Anagliptin | LDXYBEHACFJIEL-HNNXBMFYSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB07685 | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | NMAZGYDYIYLSLJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 7bv1 | DB12808 | Trifarotene | MFBCDACCJCDGBA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB14787 | BMS-830216 | YDTUJCNTIMWHPJ-NRFANRHFSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB02358 | LY374571 | SZHRIPFGZWWRKW-VIFPVBQESA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB07879 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide | SMSIXMLQOONOQQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB13667 | Cefozopran | QDUIJCOKQCCXQY-WHJQOFBOSA-N | 3CL pro |
| -9.0 | 6vxx | DB08770 | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | PWTBZOIUWZOPFT-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB14037 | Madecassic acid | PRAUVHZJPXOEIF-AOLYGAPISA-N | 3CL pro |
| -9.0 | 6crv | DB07874 | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | LQOCXPOKEPYGTJ-IBGZPJMESA-N | spike glycoprotein |
| -9.0 | 6crv | DB12548 | Sparsentan | WRFHGDPIDHPWIQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB15391 | Elenbecestat | AACUJFVOHGRMTR-DPXNYUHVSA-N | spike glycoprotein |
| -9.0 | 6crv | DB07988 | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE | HZAXNPDJVFUGDS-BYPYZUCNSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB09534 | Ecamsule | HEAHZSUCFKFERC-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6vxx | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | RUUOIINPNMNPIU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lxt | DB13095 | JTK-853 | JQLOVYLALGSISI-HXUWFJFHSA-N | S2 unit |
| -9.0 | 6lxt | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | S2 unit |
| -9.0 | 6cs2 | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m71 | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6lxt | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6vxx | DB00158 | Folic acid | OVBPIULPVIDEAO-LBPRGKRZSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB13931 | Netarsudil | OURRXQUGYQRVML-AREMUKBSSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB13929 | Relcovaptan | CEBYCSRFKCEUSW-NAYZPBBASA-N | spike glycoprotein |
| -9.0 | 6vxx | DB11793 | Niraparib | PCHKPVIQAHNQLW-CQSZACIVSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB02331 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | YBULOUKTPCHXAL-DEOSSOPVSA-N | spike glycoprotein |
| -9.0 | 6crv | DB08097 | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE | OGWSGDLIXOEZJG-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB06362 | Becatecarin | JSKFWUPVIZYJMR-UDOAKELVSA-N | S2 unit |
| -9.0 | 6m71 | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | spike glycoprotein |
| -9.0 | 6crv | DB08534 | 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | ZAIYYXVHGBMLEC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB11773 | BMS-903452 | OGIAVRWXUPYGGC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB12500 | Fedratinib | JOOXLOJCABQBSG-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB12573 | LY-2452473 | IHIWYQYVBNODSV-KRWDZBQOSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB09076 | Umeclidinium | FVTWTVQXNAJTQP-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB08080 | LATRUNCULIN B | NSHPHXHGRHSMIK-JRIKCGFMSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | S2 unit |
| -9.0 | 6w4b | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | nsp9 |
| -9.0 | 6vxx | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB12808 | Trifarotene | MFBCDACCJCDGBA-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB07933 | Erteberel | XIESSJVMWNJCGZ-VKJFTORMSA-N | spike glycoprotein |
| -9.0 | 6crv | DB08737 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL | FSYFYSFYUHBIHE-GLJUWKHASA-N | spike glycoprotein |
| -9.0 | 6lxt | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | S2 unit |
| -9.0 | 6crv | DB08170 | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE | AYFCYVLVRYQGME-QGZVFWFLSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB08233 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | RFSDQDHHBKYQOD-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m2n | DB11751 | Cabotegravir | WCWSTNLSLKSJPK-LKFCYVNXSA-N | 3CL pro |
| -9.0 | 6lxt | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | S2 unit |
| -9.0 | 6vxx | DB12046 | Atopaxar | QWKAUGRRIXBIPO-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB12687 | Vesatolimod | VFOKSTCIRGDTBR-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | S2 unit |
| -9.0 | 6vxx | DB14652 | Clocortolone acetate | ARPLCFGLEYFDCN-CDACMRRYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB12764 | ABC-294640 | CAOTVXGYTWCKQE-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB07457 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | APYXQTXFRIDSGE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB08520 | (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE | VUCSBBBCFXBFFY-IBGZPJMESA-N | spike glycoprotein |
| -9.0 | 6m71 | DB06455 | Meclinertant | DYLJVOXRWLXDIG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB08538 | N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | HQPVGVSQPQVZLD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB08268 | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | SPVJRTJUEVXOMS-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lxt | DB14876 | TAS-116 | NVVPMZUGELHVMH-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6lxt | DB05653 | IRX-5183 | PNAWUIKCVQSLFG-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6vxx | DB14627 | Oxyphenisatin acetate | PHPUXYRXPHEJDF-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB14625 | Meprednisone acetate | RZAMUHXEOMZXET-ABQXZQTJSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB00220 | Nelfinavir | QAGYKUNXZHXKMR-HKWSIXNMSA-N | spike glycoprotein |
| -9.0 | 6crv | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB04298 | 3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One | ZEBFKFGJWHOOST-LJAQVGFWSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB08441 | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1-3,7-]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE | AWSQADBSXFTFKL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB02511 | 2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine | PZWMZAFFUAWVDN-CQXYXCHQSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6m71 | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB07450 | (R)-minalrestat | BMHZAHGTGIZZCT-LJQANCHMSA-N | PL pro |
| -9.0 | 6cs2 | DB12579 | JNJ-37822681 | UVUYWJWYRLJHEN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6cs2 | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB07426 | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | NWIARQRYIRVYCM-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB07410 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | BYVXAUZOTGITQZ-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB08486 | Efaproxiral | BNFRJXLZYUTIII-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB00136 | Calcitriol | GMRQFYUYWCNGIN-NKMMMXOESA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB05482 | 7-ethyl-10-hydroxycamptothecin | FJHBVJOVLFPMQE-QFIPXVFZSA-N | 3CL pro |
| -9.0 | 6w9c | DB07369 | N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | YMJLSOJLEXWATP-UHFFFAOYSA-N | PL pro |
| -9.0 | 6crv | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB08437 | Puromycin | RXWNCPJZOCPEPQ-NVWDDTSBSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB08487 | 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | PRMSFVUWLBPPLY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB07588 | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID | FZDVNXHYGMEEDT-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m71 | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB07814 | Gibberellic acid | IXORZMNAPKEEDV-OBDJNFEBSA-N | PL pro |
| -9.0 | 6w9c | DB07793 | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | ACSGSLPOHKRZCY-GXTWGEPZSA-N | PL pro |
| -9.0 | 6m3m | DB08345 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | IWUUKHQIKFHWIW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB08346 | (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE | YUZYDHRGGDTZLG-DUXPYHPUSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB12573 | LY-2452473 | IHIWYQYVBNODSV-KRWDZBQOSA-N | 3CL pro |
| -9.0 | 6m3m | DB08495 | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | VXONTEUOQXFJJS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB12219 | GSK-424887 | DRXBWLBZWAJIEF-IBGZPJMESA-N | spike glycoprotein |
| -9.0 | 6vxx | DB13954 | Estradiol cypionate | UOACKFBJUYNSLK-XRKIENNPSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB07689 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | NYNAFINLHQEHKU-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxx | DB13993 | MRK-409 | GOIFCXRIFSYPFG-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB07678 | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL | ANAMDWGJXBYJEB-OPWFCKQNSA-N | PL pro |
| -9.0 | 6crv | DB02429 | 4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide | IXDVPACDZDRCTN-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | PL pro |
| -9.0 | 6crv | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB13345 | Dihydroergocristine | DEQITUUQPICUMR-HJPBWRTMSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB07265 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID | JDARUOOLJCFUOY-UHFFFAOYSA-N | PL pro |
| -9.0 | 6crv | DB15056 | Bifenthrin | OMFRMAHOUUJSGP-IRHGGOMRSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB01705 | Bis(5-Amidino-Benzimidazolyl)Methane | QZKOOEFIMWKZPK-UHFFFAOYSA-Q | nucleocapsid protein |
| -9.0 | 6vxs | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m2n | DB05913 | OSI-930 | FGTCROZDHDSNIO-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | spike glycoprotein |
| -9.0 | 6w9c | DB07064 | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE | HPVCRUIDFODATB-LJQANCHMSA-N | PL pro |
| -9.0 | 6w9c | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | PL pro |
| -9.0 | 6vxs | DB02732 | Nicotinamide Adenine Dinucleotide Acetone Adduct | SGHBFOOIAAJJMI-YDKVLQLQSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB11730 | Ribociclib | RHXHGRAEPCAFML-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB08701 | 2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE | JZCUVYNOSDWORZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB08707 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine | AQVFETGXIRKVAQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB06733 | Bafilomycin A1 | XDHNQDDQEHDUTM-JQWOJBOSSA-N | PL pro |
| -9.0 | 6cs2 | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lxt | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | S2 unit |
| -9.0 | 6vxs | DB08407 | PLATENSIMYCIN | CSOMAHTTWTVBFL-OFBLZTNGSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB07074 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER | OUBRALHIKGRAMA-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB08590 | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE | CEAYRKIZESVQSN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | ribose phosphatase of NSP3 |
| -9.0 | 7bv1 | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxx | DB15031 | Nemorexant | NBGABHGMJVIVBW-QHCPKHFHSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB08521 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | CDMGBJANTYXAIV-HHHXNRCGSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB15033 | Flortaucipir | GETAAWDSFUCLBS-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB13605 | Phenoperidine | IPOPQVVNCFQFRK-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | S2 unit |
| -9.0 | 6m3m | DB08532 | 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine | WCNPGRRMPFCHEO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB08539 | 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CCDIUVLNHCGSMH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | PL pro |
| -9.0 | 6m3m | DB08557 | 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide | XQKFKSJUBJPOLY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB07138 | Neflamapimod | VEPKQEUBKLEPRA-UHFFFAOYSA-N | PL pro |
| -9.0 | 6cs2 | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB07124 | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | CCIACUJJBPSOHE-KRWDZBQOSA-N | PL pro |
| -9.0 | 7bv1 | DB00146 | Calcifediol | JWUBBDSIWDLEOM-DTOXIADCSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB12419 | HSD-016 | ZWASRJHIEFYJGL-BFUOFWGJSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB07138 | Neflamapimod | VEPKQEUBKLEPRA-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB08250 | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE | OQMVLDZJPRSNOG-NRFANRHFSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB11859 | Brexanolone | AURFZBICLPNKBZ-SYBPFIFISA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB08538 | N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | HQPVGVSQPQVZLD-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB08020 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL | RHQLNMNKTIOREN-AOIWGVFYSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6lxt | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | S2 unit |
| -9.0 | 6w9c | DB08489 | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE | GCBPAPVOMPJQHK-NQIIRXRSSA-N | PL pro |
| -9.0 | 6m3m | DB00247 | Methysergide | KPJZHOPZRAFDTN-NQUBZZJWSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB00243 | Ranolazine | XKLMZUWKNUAPSZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB08049 | 7,8-dihydroxy-4-phenyl-2H-chromen-2-one | JRVIIPJSVKTPBK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m71 | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB08055 | N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | NNBICZMPIJMWGC-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB08056 | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | KKYYLKPGILUPOA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB07984 | 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1S)-1-(hydroxymethyl)propyl]acetamide | GKJWXEORYGBJFS-KRWDZBQOSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -9.0 | 6cs2 | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB07186 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE | TYYNSDQVFIOSFH-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB12665 | Isoquercetin | OVSQVDMCBVZWGM-QSOFNFLRSA-N | 3CL pro |
| -9.0 | 6m71 | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB07917 | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE | TZQGXAHOROZEKN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6lxt | DB08546 | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | CETLUACQMGBMFH-ZALSBGIRSA-N | S2 unit |
| -9.0 | 6m71 | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB00275 | Olmesartan | VTRAEEWXHOVJFV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB01941 | 6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl]Pyridine-3-Carboxylic Acid | SLXTWXQUEZSSTJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB00860 | Prednisolone | OIGNJSKKLXVSLS-VWUMJDOOSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB00266 | Dicoumarol | DOBMPNYZJYQDGZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB07969 | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | QNCYYRHIUFGGJX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB06429 | Talnetant | BIAVGWDGIJKWRM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB00845 | Clofazimine | WDQPAMHFFCXSNU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6lxt | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | S2 unit |
| -9.0 | 6m2n | DB04862 | Merimepodib | JBPUGFODGPKTDW-SFHVURJKSA-N | 3CL pro |
| -9.0 | 6w9c | DB08698 | 1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL | BKSGACYTXOQQNI-OAQYLSRUSA-N | PL pro |
| -9.0 | 6m3m | DB07968 | N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA | RFOBTYLRURSVJE-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB08739 | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | ZSXNPAWXICXNGZ-HNNXBMFYSA-N | PL pro |
| -9.0 | 6lxt | DB11759 | Pevonedistat | MPUQHZXIXSTTDU-QXGSTGNESA-N | S2 unit |
| -9.0 | 7bv1 | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB04669 | TRIAZOLOPYRIMIDINE | YWBFPKPWMSWWEA-UHFFFAOYSA-O | nucleocapsid protein |
| -9.0 | 6vxs | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6cs2 | DB06190 | Solabegron | LLDXOPKUNJTIRF-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB08058 | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one | HGEPGGJUGUMFHT-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB00206 | Reserpine | QEVHRUUCFGRFIF-MDEJGZGSSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB08037 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide | MYBGWENAVMIGMM-GIFXNVAJSA-N | PL pro |
| -9.0 | 6m3m | DB04626 | Apramycin | XZNUGFQTQHRASN-XQENGBIVSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB05087 | Ganaxolone | PGTVWKLGGCQMBR-FLBATMFCSA-N | 3CL pro |
| -9.0 | 6cs2 | DB06169 | Indibulin | SOLIIYNRSAWTSQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB08204 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE | FLWABCQDXUKNQY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB07945 | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid | GKBQRPKZHUFGOB-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxx | DB07140 | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | JPENSYBRTSIYGO-AWEZNQCLSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB08233 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | RFSDQDHHBKYQOD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB08172 | (2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide | YUDQXOMZBLEWBH-KAMYIIQDSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB08293 | (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE | AQKZYZQONWDDLS-HNQUOIGGSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB01456 | 5-androstenedione | SQGZFRITSMYKRH-QAGGRKNESA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB08389 | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UPTQSRGSSJRBKJ-LJQANCHMSA-N | PL pro |
| -9.0 | 6w9c | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxx | DB13060 | CEP-37440 | BCSHRERPHLTPEE-NRFANRHFSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB08087 | 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE | NHBIWLQQJPSMNP-CABCVRRESA-N | nucleocapsid protein |
| -9.0 | 6crv | DB02115 | Daidzin | KYQZWONCHDNPDP-QNDFHXLGSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB12746 | AKN-028 | JLRIJKVMMZEKDF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB13074 | Macimorelin | UJVDJAPJQWZRFR-DHIUTWEWSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB07147 | methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | HJWMYFBKJRVWJY-YKSBVNFPSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB13089 | Enoxolone | MPDGHEJMBKOTSU-YKLVYJNSSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB08166 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | LPFQFJAOMCGYCP-GFCCVEGCSA-N | PL pro |
| -9.0 | 6w9c | DB08126 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | DMCRNUMVSATRTP-LCYFTJDESA-N | PL pro |
| -9.0 | 6w9c | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | PL pro |
| -9.0 | 6m2n | DB05039 | Indacaterol | QZZUEBNBZAPZLX-QFIPXVFZSA-N | 3CL pro |
| -9.0 | 7bv1 | DB02102 | DMP450 | KYRSNWPSSXSNEP-ZRTHHSRSSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9q | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.0 | 6crv | DB02166 | Propidium | ZDWVWKDAWBGPDN-UHFFFAOYSA-O | spike glycoprotein |
| -9.0 | 6crv | DB14987 | Difamilast | VFBILHPIHUPBPZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB15418 | AZD-9977 | MBKYLPOPYYLTNW-ZDUSSCGKSA-N | 3CL pro |
| -9.0 | 6lxt | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | S2 unit |
| -9.0 | 6crv | DB15123 | Dorzagliatin | HMUMWSORCUWQJO-QAPCUYQASA-N | spike glycoprotein |
| -9.0 | 6w9c | DB02917 | N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide | LFGYSFPVLMPUPE-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxx | DB00700 | Eplerenone | JUKPWJGBANNWMW-VWBFHTRKSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB06879 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE | QCFIRACCCDFXIP-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6vxx | DB05983 | Bardoxolone methyl | WPTTVJLTNAWYAO-KPOXMGGZSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB11263 | Polydatin | HSTZMXCBWJGKHG-CUYWLFDKSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB03678 | (6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine | WVGZKPGUHOZIJQ-HNNXBMFYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB11372 | Altrenogest | VWAUPFMBXBWEQY-ANULTFPQSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB02611 | Balanol Analog 1 | FZJQHARRQUNVGZ-QZTJIDSGSA-N | PL pro |
| -9.0 | 6crv | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxs | DB11577 | Indigotindisulfonic Acid | CFZXDJWFRVEWSR-BUHFOSPRSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6cs2 | DB04669 | TRIAZOLOPYRIMIDINE | YWBFPKPWMSWWEA-UHFFFAOYSA-O | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB00699 | Nicergoline | YSEXMKHXIOCEJA-FVFQAYNVSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB02466 | 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid | ZXQHMEUGMCXKLO-KPKJPENVSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6cs2 | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB03186 | U-Pi-a-Pi | JIAJERGOUFOENU-LNAOLWRRSA-N | PL pro |
| -9.0 | 6m2n | DB15307 | Atabecestat | VLLFGVHGKLDDLW-SFHVURJKSA-N | 3CL pro |
| -9.0 | 6crv | DB03488 | Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-galactose | NGTCPFGWXMBZEP-NQQHDEILSA-N | spike glycoprotein |
| -9.0 | 6crv | DB12252 | PG-701 | OKRSVUYYCJPECG-LFGMFVMYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB03515 | Equilenin | PDRGHUMCVRDZLQ-WMZOPIPTSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB03605 | (2s)-2-[(2,4-Dichloro-Benzoyl)-(3-Trifluoromethyl-Benzyl)-Amino]-3-Phenyl-Propionic Acid | LAJJKGIZTCCOHY-NRFANRHFSA-N | PL pro |
| -9.0 | 6m3m | DB09209 | Pholcodine | GPFAJKDEDBRFOS-FKQDBXSBSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | 3CL pro |
| -9.0 | 6m2n | DB14545 | Hydrocortisone succinate | VWQWXZAWFPZJDA-CGVGKPPMSA-N | 3CL pro |
| -9.0 | 6w9c | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | PL pro |
| -9.0 | 6cs2 | DB07765 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | UKCFUFHREWUXJJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6cs2 | DB14856 | PF-05089771 | ZYSCOUXLBXGGIM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m71 | DB13756 | Peruvoside | PMTSPAGBAFCORP-HBUONDEYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB00705 | Delavirdine | WHBIGIKBNXZKFE-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB03622 | 2-Hydroxy-5-[4-(2-Hydroxy-Ethyl)-Piperidin-1-Yl]-5-Phenyl-1h-Pyrimidine-4,6-Dione | IPBPOBHSNJFRFT-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | PL pro |
| -9.0 | 6crv | DB03598 | Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | XSUAVPPTKHUTDX-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB02360 | Bis-Napthyl Beta-Ketophosphonic Acid | OFHMUASCSJJNNA-JOCHJYFZSA-N | PL pro |
| -9.0 | 6m3m | DB11478 | Zeranol | DWTTZBARDOXEAM-GXTWGEPZSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB12270 | Losmapimod | KKYABQBFGDZVNQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB11703 | Acalabrutinib | WDENQIQQYWYTPO-IBGZPJMESA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB03996 | 3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol | QBZAPFWYAPXRGQ-KRWDZBQOSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB11741 | Famitinib | GKEYKDOLBLYGRB-LGMDPLHJSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB07049 | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine | SOFGQQQVQZQJFS-MRXNPFEDSA-N | 3CL pro |
| -9.0 | 6m71 | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxs | DB11742 | Ebastine | MJJALKDDGIKVBE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6cs2 | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB00978 | Lomefloxacin | ZEKZLJVOYLTDKK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB04064 | Nogalaviketone | QHNJNOBWURJIEK-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB15151 | RO-6870810 | PKQXLRYFPSZKDU-QFIPXVFZSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB11811 | Arhalofenate | BJBCSGQLZQGGIQ-QGZVFWFLSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB01185 | Fluoxymesterone | YLRFCQOZQXIBAB-RBZZARIASA-N | PL pro |
| -9.0 | 6m3m | DB04137 | Guanosine-5'-Triphosphate | XKMLYUALXHKNFT-UUOKFMHZSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB00596 | Ulobetasol | LEHFPXVYPMWYQD-XHIJKXOTSA-N | 3CL pro |
| -9.0 | 6lxt | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | S2 unit |
| -9.0 | 7bv1 | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB01587 | Ketazolam | PWAJCNITSBZRBL-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB11687 | E-6201 | MWUFVYLAWAXDHQ-HMNLTAHHSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB03751 | 2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose | YSYKRGRSMLTJNL-URARBOGNSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxs | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB11519 | Fluprostenol | WWSWYXNVCBLWNZ-QIZQQNKQSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB00972 | Azelastine | MBUVEWMHONZEQD-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB03768 | N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3 | WRUVOSYKHXGAQN-GKRYNVPLSA-N | spike glycoprotein |
| -9.0 | 6crv | DB03777 | Rbt205 Inhibitor | QMGUOJYZJKLOLH-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB01100 | Pimozide | YVUQSNJEYSNKRX-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB07783 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | GUYYFMCFEPDDFL-OAQYLSRUSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB01026 | Ketoconazole | XMAYWYJOQHXEEK-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB11650 | HT-0712 | ABEJDMOBAFLQNJ-NHCUHLMSSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB01047 | Fluocinonide | WJOHZNCJWYWUJD-IUGZLZTKSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB01763 | 7-thionicotinamide-adenine-dinucleotide phosphate | OJNFDOAQUXJWED-NNYOXOHSSA-N | PL pro |
| -9.0 | 6vxx | DB01070 | Dihydrotachysterol | ILYCWAKSDCYMBB-OPCMSESCSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB01861 | Uridine diphosphate glucose | HSCJRCZFDFQWRP-JZMIEXBBSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB02341 | Mdl 101,146 | XQAMVCHQGHAELT-YPAWHYETSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxx | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB11656 | Rebamipide | ALLWOAVDORUJLA-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB05470 | VX-702 | FYSRKRZDBHOFAY-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxx | DB15242 | MK-0533 | STWITCBWQHTJFJ-XMMPIXPASA-N | spike glycoprotein |
| -9.0 | 6vxs | DB08901 | Ponatinib | PHXJVRSECIGDHY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | spike glycoprotein |
| -9.0 | 6vxx | DB15250 | Vercirnon | JRWROCIMSDXGOZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w9c | DB05076 | Fenretinide | AKJHMTWEGVYYSE-FXILSDISSA-N | PL pro |
| -9.0 | 6lzg | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6vxs | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6lxt | DB00590 | Doxazosin | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6cs2 | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB06746 | ginkgolide-J | LMEHVEUFNRJAAV-UKWFQYJJSA-N | spike glycoprotein |
| -9.0 | 6crv | DB15102 | Pemigatinib | HCDMJFOHIXMBOV-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB08930 | Dolutegravir | RHWKPHLQXYSBKR-BMIGLBTASA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxx | DB15238 | Olinciguat | YWQFJNWMWZMXRW-HXUWFJFHSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB08878 | Aminopterin | TVZGACDUOSZQKY-LBPRGKRZSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB08881 | Vemurafenib | GPXBXXGIAQBQNI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB05653 | IRX-5183 | PNAWUIKCVQSLFG-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxx | DB15173 | JNJ-42165279 | YWGYNGCRVZLMCS-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB08737 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL | FSYFYSFYUHBIHE-GLJUWKHASA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB06519 | Edaglitazone | HAAXAFNSRADSMK-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | PL pro |
| -9.0 | 6m2n | DB00862 | Vardenafil | SECKRCOLJRRGGV-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB08745 | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | QLHUDNKWOSQSMK-CXUHLZMHSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB04842 | Fluspirilene | QOYHHIBFXOOADH-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB01431 | Allylestrenol | ATXHVCQZZJYMCF-XUDSTZEESA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB01713 | Udp-Alpha-D-Xylopyranose | DQQDLYVHOTZLOR-OCIMBMBZSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB13534 | Gedocarnil | SLYDYLLJUXFULK-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB06169 | Indibulin | SOLIIYNRSAWTSQ-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB08846 | Ellagic Acid | AFSDNFLWKVMVRB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB05667 | Levoketoconazole | XMAYWYJOQHXEEK-ZEQKJWHPSA-N | PL pro |
| -9.0 | 6w9c | DB06395 | Abafungin | TYBHXIFFPVFXQW-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB04841 | Flunarizine | SMANXXCATUTDDT-QPJJXVBHSA-N | PL pro |
| -9.0 | 6w9c | DB04793 | 1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol | DKBAWRNTUZFJKV-XMTFNYHQSA-N | PL pro |
| -9.0 | 6w9c | DB04790 | 2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol | IBIUTOFGXGGVKQ-XMTFNYHQSA-N | PL pro |
| -9.0 | 6m3m | DB09050 | Ceftolozane | JHFNIHVVXRKLEF-DCZLAGFPSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB04177 | 4-(3,14-Dihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | XZTUSOXSLKTKJQ-CESUGQOBSA-N | PL pro |
| -9.0 | 6crv | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB12483 | Copanlisib | PZBCKZWLPGJMAO-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB09078 | Lenvatinib | WOSKHXYHFSIKNG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB03388 | 3-[(2,4-Dichlorobenzoyl)(Isopropyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid | UKNZREOUDLFUFF-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB01764 | Dalfopristin | SUYRLXYYZQTJHF-VMBLUXKRSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | 3CL pro |
| -9.0 | 6m71 | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6lxt | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6w9c | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | PL pro |
| -9.0 | 6crv | DB11666 | Buparlisib | CWHUFRVAEUJCEF-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB09169 | 3-Allylfentanyl | BZXKQFFMDLTPJL-LADGPHEKSA-N | nucleocapsid protein |
| -9.0 | 6w9q | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | nsp9 RNA-replicase |
| -9.0 | 6vxx | DB00568 | Cinnarizine | DERZBLKQOCDDDZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB07756 | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL | GPBGHVRNVGXPNM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB03421 | 2-Phenethyl-2,3-Dihydro-Phthalazine-1,4-Dione | JSSVIGGKHIJEHO-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB00589 | Lisuride | BKRGVLQUQGGVSM-KBXCAEBGSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB06588 | Triphendiol | KQCJZAUNKSGEFM-UNMCSNQZSA-N | 3CL pro |
| -9.0 | 6lzg | DB08022 | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile | RCYPVQCPYKNSTG-OAHLLOKOSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6w9c | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m71 | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB04750 | OREGON GREEN 488 CARBOXYLATE | BRJCLSQFZSHLRL-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB04609 | INHIBITOR Q8467 OF DUPONT MERCK | HFLCERPZYCWLSZ-VKONIRKNSA-N | PL pro |
| -9.0 | 6vxx | DB06733 | Bafilomycin A1 | XDHNQDDQEHDUTM-JQWOJBOSSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB11686 | Iferanserin | UXIPFQUBOVWAQW-UEBLJOKOSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB06510 | Muraglitazar | IRLWJILLXJGJTD-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB01755 | N-[Isoleucinyl]-N'-[Adenosyl]-Diaminosufone | XVTRBLLRODNOJV-VBJYJYTRSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB06519 | Edaglitazone | HAAXAFNSRADSMK-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w9c | DB04432 | ZK-805623 | ZXIHYCYAQUQHSG-UHFFFAOYSA-O | PL pro |
| -9.0 | 6crv | DB11687 | E-6201 | MWUFVYLAWAXDHQ-HMNLTAHHSA-N | spike glycoprotein |
| -9.0 | 6lzg | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6w9c | DB04378 | 3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | APJAEXGNDLFGPD-AWCRTANDSA-N | PL pro |
| -9.0 | 6w9c | DB04342 | 7-((Carboxy(4-Hydroxyphenyl)Acetyl)Amino)-7-Methoxy-(3-((1-Methyl-1h-Tetrazol-5-Yl)Thio)Methyl)-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid | JWCSIUVGFCSJCK-LIUKBUMOSA-N | PL pro |
| -9.0 | 6crv | DB03262 | Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | PZLYYZPXSSNGJS-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB01450 | Dihydroetorphine | BRTSNYPDACNMIP-FAWZKKEFSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB08922 | Perospirone | FBVFZWUMDDXLLG-HDICACEKSA-N | PL pro |
| -9.0 | 6m2n | DB01067 | Glipizide | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 7bv1 | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB01526 | 4-Androstenediol | BTTWKVFKBPAFDK-LOVVWNRFSA-N | nucleocapsid protein |
| -9.0 | 6m71 | DB12547 | LY-2886721 | NIDRNVHMMDAAIK-YPMLDQLKSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB00719 | Azatadine | SEBMTIQKRHYNIT-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB02830 | FR236913 | KCCUBLLGAMGDJL-HXUWFJFHSA-N | 3CL pro |
| -9.0 | 6w9q | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.0 | 6m3m | DB06849 | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine | RQWYWHUKHYFIPB-VQHVLOKHSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB06856 | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE | HUYQYLFFFNSAAX-BUXKBTBVSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB00736 | Esomeprazole | SUBDBMMJDZJVOS-DEOSSOPVSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB04946 | Iloperidone | XMXHEBAFVSFQEX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB13472 | Cyclofenil | GVOUFPWUYJWQSK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB06865 | 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID | ZSRRBAKATXAISL-LMNJBCLMSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB08459 | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | SVMHTBVIPYVDIL-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9q | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | nsp9 RNA-replicase |
| -9.0 | 6m3m | DB06875 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | NSSOSHDCWCMNDM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB00694 | Daunorubicin | STQGQHZAVUOBTE-VGBVRHCVSA-N | spike glycoprotein |
| -9.0 | 6crv | DB00689 | Cephaloglycin | FUBBGQLTSCSAON-PBFPGSCMSA-N | spike glycoprotein |
| -9.0 | 6w9q | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | nsp9 RNA-replicase |
| -9.0 | 6w9q | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.0 | 6lxt | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6vxs | DB06876 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | YJWJKKXGAPWLGT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9q | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.0 | 6cs2 | DB07237 | {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone | VUWFJUJWAWMRQN-HXUWFJFHSA-N | ACE2 area for S-protein binding |
| -9.0 | 7bv1 | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB01521 | Clostebol | KCZCIYZKSLLNNH-FBPKJDBXSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB08391 | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UBIIFKJMNRPNMT-CQSZACIVSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB07168 | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile | MFMSRHREFZCFSN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | spike glycoprotein |
| -9.0 | 6crv | DB12049 | Dasolampanel etibutil | HPBRMCFZIGUGTK-ZMMAXQRCSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | S2 unit |
| -9.0 | 6m3m | DB06733 | Bafilomycin A1 | XDHNQDDQEHDUTM-JQWOJBOSSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB06745 | ginkgolide-C | AMOGMTLMADGEOQ-DTDWCABLSA-N | nucleocapsid protein |
| -9.0 | 6w9q | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.0 | 6crv | DB00663 | Flumethasone | WXURHACBFYSXBI-GQKYHHCASA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB06717 | Fosaprepitant | BARDROPHSZEBKC-OITMNORJSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB01532 | ??-Methylacetylfentanyl | OKTLVZBUKMRPLL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB07644 | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine | IDHINEMSCUFEIP-VIFPVBQESA-N | spike glycoprotein |
| -9.0 | 6m3m | DB04903 | Pagoclone | HIUPRQPBWVEQJJ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB01543 | 18-methyl-19-nortestosterone | FBYZQDCRLYHHHP-ZOFHRBRSSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB07045 | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | VBJKVZXRYLCYGQ-XNIJJKJLSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxs | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m2n | DB01336 | Metocurine | JFXBEKISTKFVAB-AJQTZOPKSA-N | 3CL pro |
| -9.0 | 6w9c | DB12447 | Nadifloxacin | JYJTVFIEFKZWCJ-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m2n | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | 3CL pro |
| -9.0 | 6w9c | DB13070 | Surinabant | HMXDWDSNPRNUKI-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB07105 | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE | IEEYGOJDTRVYGR-HNNXBMFYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB08899 | Enzalutamide | WXCXUHSOUPDCQV-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB07054 | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | OSCWQKTUILTARV-MRXNPFEDSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lxt | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | S2 unit |
| -9.0 | 7bv1 | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB07127 | {4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID | SXDBFKLPNPUPRI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6lxt | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | S2 unit |
| -9.0 | 6m2n | DB03478 | 2'-O-Acetyl Adenosine-5-Diphosphoribose | BFNOPXRXIQJDHO-DLFWLGJNSA-N | 3CL pro |
| -9.0 | 6crv | DB01047 | Fluocinonide | WJOHZNCJWYWUJD-IUGZLZTKSA-N | spike glycoprotein |
| -9.0 | 6crv | DB00542 | Benazepril | XPCFTKFZXHTYIP-PMACEKPBSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | PL pro |
| -9.0 | 6crv | DB00969 | Alosetron | JSWZEAMFRNKZNL-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB08490 | CTS-1027 | ROSNVSQTEGHUKU-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | 3CL pro |
| -9.0 | 6lxt | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | S2 unit |
| -9.0 | 6wiq | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | nsp7-nsp8 |
| -9.0 | 6m3m | DB06954 | 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate | BIASYWBGUYOWJR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB03081 | Crc200 (Chiron-Behring) | ZOXOKTJHZSUHRJ-XZOQPEGZSA-N | 3CL pro |
| -9.0 | 6m3m | DB07015 | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine | XDSKICAQKGYYJF-OLZOCXBDSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m2n | DB03159 | CRA_8696 | GAVRMVQHHVMXFD-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB14217 | Quinaprilat | FLSLEGPOVLMJMN-YSSFQJQWSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB06999 | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | YZDJQTHVDDOVHR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB15265 | USL-311 | XNUNVQKARNSSEO-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxs | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB15208 | NOP-1A | MZBCQWLYUQJXKA-KRWDZBQOSA-N | PL pro |
| -9.0 | 6vxx | DB08497 | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | NKBDSMREMMRFSI-INIZCTEOSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB06634 | Casopitant | XGGTZCKQRWXCHW-WMTVXVAQSA-N | nucleocapsid protein |
| -9.0 | 6m71 | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB08003 | ISOTHIAZOLIDINONE ANALOG | UILYPHAKDBTKQV-UFYCRDLUSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB03476 | Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine | NQRIWXVAIWPBEM-OALUTQOASA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB12113 | CE-224535 | FUCKCIVGBCBZNP-MRXNPFEDSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB01496 | Barbituric acid derivative | DNZPLHRZXUJATK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB00680 | Moricizine | FUBVWMNBEHXPSU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB12081 | Anecortave | BCFCRXOJOFDUMZ-ONKRVSLGSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | 3CL pro |
| -9.0 | 6m3m | DB01500 | Oxabolone | GXHBCWCMYVTJOW-YGRHGMIBSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB00158 | Folic acid | OVBPIULPVIDEAO-LBPRGKRZSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB00673 | Aprepitant | ATALOFNDEOCMKK-OITMNORJSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB06237 | Avanafil | WEAJZXNPAWBCOA-INIZCTEOSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB00180 | Flunisolide | XSFJVAJPIHIPKU-XWCQMRHXSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB05884 | HCV-086 | VBRUONUESYTIDA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB05796 | Daglutril | XMQODGUTLZXUGZ-RPBOFIJWSA-N | nucleocapsid protein |
| -9.0 | 6lxt | DB11562 | Bicuculline | IYGYMKDQCDOMRE-ZWKOTPCHSA-N | S2 unit |
| -9.0 | 6crv | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9q | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | nsp9 RNA-replicase |
| -9.0 | 6lzg | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6vxs | DB05667 | Levoketoconazole | XMAYWYJOQHXEEK-ZEQKJWHPSA-N | ribose phosphatase of NSP3 |
| -9.0 | 7bv1 | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 7bv1 | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | ACE2 area for S-protein binding |
| -9.0 | 6cs2 | DB07359 | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide | SJTQKYKXCYVFHX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 7bv1 | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | ACE2 area for S-protein binding |
| -9.0 | 6cs2 | DB13687 | Niaprazine | RSKQGBFMNPDPLR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 7bv1 | DB09295 | Talniflumate | ANMLJLFWUCQGKZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9q | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.0 | 6vxx | DB07987 | [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | AWAKNMKLVLWIIQ-OAHLLOKOSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB06263 | Amrubicin | VJZITPJGSQKZMX-XDPRQOKASA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB02123 | Glycochenodeoxycholic Acid | GHCZAUBVMUEKKP-GYPHWSFCSA-N | 3CL pro |
| -9.0 | 6m71 | DB12877 | Oxatomide | BAINIUMDFURPJM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9q | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | nsp9 RNA-replicase |
| -9.0 | 6vxs | DB06717 | Fosaprepitant | BARDROPHSZEBKC-OITMNORJSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB06519 | Edaglitazone | HAAXAFNSRADSMK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB08094 | (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE | JRNJNYBQQYBCLE-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB07688 | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | RPJIMTALCNCQLV-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB06533 | Ragaglitazar | WMUIIGVAWPWQAW-XMMPIXPASA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB02505 | N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl) | JJVQUUYZGJWBPW-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m71 | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB02519 | Indirubin-5-Sulphonate | IHBOEHLUIBMBMY-YPKPFQOOSA-N | 3CL pro |
| -9.0 | 6cs2 | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB06590 | Ceftaroline fosamil | ZCCUWMICIWSJIX-NQJJCJBVSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB00502 | Haloperidol | LNEPOXFFQSENCJ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB15269 | ALK-4290 | DWKNOLCXIFYNFV-HSZRJFAPSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB02554 | Sulfoquinovose-Uridine-C1,5'-Diphosphate | FQANCGQCBCUSMI-JZMIEXBBSA-N | 3CL pro |
| -9.0 | 6w9q | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | nsp9 RNA-replicase |
| -9.0 | 6w9q | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.0 | 6crv | DB00482 | Celecoxib | RZEKVGVHFLEQIL-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB04971 | Reglitazar | QBQLYIISSRXYKL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 7bv1 | DB04514 | Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester | DFYLLEBFVZTKHD-VMIOUTBZSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB12068 | T-900607 | FSXLOWIFSZNIMV-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6lzg | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6vxx | DB08052 | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | NVRXTLZYXZNATH-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB00240 | Alclometasone | FJXOGVLKCZQRDN-PHCHRAKRSA-N | spike glycoprotein |
| -9.0 | 6crv | DB14664 | Difluocortolone pivalate | UWGRWFCLGQWKPR-GSTUPEFVSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB05107 | 16-Bromoepiandrosterone | CWVMWSZEMZOUPC-JUAXIXHSSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB02197 | 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide | NKORVPQBJCGYEC-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB14774 | Balipodect | KVHRYLNQDWXAGI-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB00276 | Amsacrine | XCPGHVQEEXUHNC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9q | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -9.0 | 6w9q | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | nsp9 RNA-replicase |
| -9.0 | 6crv | DB00319 | Piperacillin | IVBHGBMCVLDMKU-GXNBUGAJSA-N | spike glycoprotein |
| -9.0 | 6crv | DB00327 | Hydromorphone | WVLOADHCBXTIJK-YNHQPCIGSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB06603 | Panobinostat | FPOHNWQLNRZRFC-ZHACJKMWSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB01503 | 1-Androstenediol | RZFGPAMUAXASRE-YSZCXEEOSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB12070 | Letermovir | FWYSMLBETOMXAG-QHCPKHFHSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB06519 | Edaglitazone | HAAXAFNSRADSMK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxx | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB15442 | Trilaciclib | PDGKHKMBHVFCMG-UHFFFAOYSA-N | PL pro |
| -9.0 | 7bv1 | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB07570 | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | ZKEZEXYKYHYIMQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB07583 | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE | RLNNFNGBXLTQOB-RBUKOAKNSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB07537 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide | CLEGTVIMOPPIBR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB07596 | (17beta)-17-(cyanomethyl)-2-methox1tra-1(10),2,4-trien-3-yl sulfamate | NTSPHKOMJMBWOU-NNKXXINSSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB07612 | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE | XQKJVNGGVLHNLA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB00338 | Omeprazole | SUBDBMMJDZJVOS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB12127 | Sultamicillin | OPYGFNJSCUDTBT-PMLPCWDUSA-N | PL pro |
| -9.0 | 6w9c | DB12122 | Figopitant | HUTHJVYJUPXHDF-DEOSSOPVSA-N | PL pro |
| -9.0 | 6w9c | DB12052 | Icariin | TZJALUIVHRYQQB-XLRXWWTNSA-N | PL pro |
| -9.0 | 6m3m | DB07647 | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL | VBASHTSSQNDDAS-CQSZACIVSA-N | nucleocapsid protein |
| -9.0 | 6m71 | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6lzg | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6w9c | DB11900 | OC-459 | FATGTHLOZSXOBC-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB12252 | PG-701 | OKRSVUYYCJPECG-LFGMFVMYSA-N | PL pro |
| -9.0 | 6w9c | DB12253 | GDC-0810 | BURHGPHDEVGCEZ-KJGLQBJMSA-N | PL pro |
| -9.0 | 6crv | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB04373 | 4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | WQUBEIMCFHCJCO-AWCRTANDSA-N | 3CL pro |
| -9.0 | 6m3m | DB04790 | 2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol | IBIUTOFGXGGVKQ-XMTFNYHQSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB11966 | BMS-986094 | YFXGICNMLCGLHJ-RSKRLRQZSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB13052 | Upamostat | HUASEDVYRABWCV-NDEPHWFRSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB11969 | Uprosertib | AXTAPYRUEKNRBA-JTQLQIEISA-N | spike glycoprotein |
| -9.0 | 6m3m | DB07537 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide | CLEGTVIMOPPIBR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB13756 | Peruvoside | PMTSPAGBAFCORP-HBUONDEYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB14906 | Adafosbuvir | NIJYGVDQZBBONK-SEUXLIJBSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB12985 | Quisinostat | PAWIYAYFNXQGAP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB07265 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID | JDARUOOLJCFUOY-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB12325 | Idasanutlin | TVTXCJFHQKSQQM-LJQIRTBHSA-N | PL pro |
| -9.0 | 6w9c | DB12303 | Motolimod | QSPOQCXMGPDIHI-UHFFFAOYSA-N | PL pro |
| -9.0 | 6cs2 | DB06755 | Beta carotene | OENHQHLEOONYIE-JLTXGRSLSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB12290 | Puerarin | HKEAFJYKMMKDOR-VPRICQMDSA-N | PL pro |
| -9.0 | 6w9c | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB07563 | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine | GCJSOJRPNOWSEH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB12006 | BMS-906024 | AYOUDDAETNMCBW-GSHUGGBRSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB12336 | GDC-0917 | HSHPBORBOJIXSQ-HARLFGEKSA-N | PL pro |
| -9.0 | 6w9c | DB11845 | Lucitanib | CUDVHEFYRIWYQD-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB11828 | Neratinib | JWNPDZNEKVCWMY-VQHVLOKHSA-N | PL pro |
| -9.0 | 6vxx | DB12426 | Bitopertin | YUUGYIUSCYNSQR-LBPRGKRZSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB01810 | [1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester | NOXVWFAAXREWMI-GURWAVDKSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB12500 | Fedratinib | JOOXLOJCABQBSG-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lzg | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6cs2 | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | PL pro |
| -9.0 | 6m3m | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB01474 | 17alpha-methyl-3beta,17beta-dihydroxyandrost-4-ene | BNUOCVTVOYWNJC-DTMQFJJTSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | PL pro |
| -9.0 | 6vxx | DB12512 | Verucerfont | VKHVAUKFLBBZFJ-SFHVURJKSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB07844 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE | PHLKBODTBJLXRD-WFASDCNBSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB04771 | 1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE | FIZYZWLGMGGGBJ-OALUTQOASA-N | 3CL pro |
| -9.0 | 6m3m | DB07855 | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | CWHMAWBXRCDOEB-HNNXBMFYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB07834 | N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | FOHZGCHKLPIBBX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB07702 | 17alpha-Estriol | PROQIPRRNZUXQM-PNVOZDDCSA-N | nucleocapsid protein |
| -9.0 | 6lzg | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6m3m | DB07707 | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL | LEOPSILMAOYZBO-IUTAEKPZSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxs | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6lzg | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6w9c | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxx | DB07229 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE | MINVOLKUPZPDNX-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB12941 | ODM-201 | BLIJXOOIHRSQRB-PXYINDEMSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB11638 | Artenimol | BJDCWCLMFKKGEE-HVDUHBCDSA-N | PL pro |
| -9.0 | 6m3m | DB07769 | S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | KJMFOTCDISOHDX-INIZCTEOSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB07779 | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE | ANQHSFFUNMTTRS-MOPGFXCFSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB11511 | Difloxacin | NOCJXYPHIIZEHN-UHFFFAOYSA-N | PL pro |
| -9.0 | 6vxs | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m2n | DB04644 | 4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID | FCEMCUPAYRPTLS-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6vxs | DB07982 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol | PVTKDXZNSUHUMO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB01095 | Fluvastatin | FJLGEFLZQAZZCD-JUFISIKESA-N | spike glycoprotein |
| -9.0 | 6m3m | DB00354 | Buclizine | MOYGZHXDRJNJEP-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB11951 | Lemborexant | MUGXRYIUWFITCP-PGRDOPGGSA-N | spike glycoprotein |
| -9.0 | 6crv | DB01147 | Cloxacillin | LQOLIRLGBULYKD-JKIFEVAISA-N | spike glycoprotein |
| -9.0 | 6w9c | DB14795 | AZD-3759 | MXDSJQHFFDGFDK-CYBMUJFWSA-N | PL pro |
| -9.0 | 6w9c | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB00481 | Raloxifene | GZUITABIAKMVPG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB11964 | Ilaprazole | HRRXCXABAPSOCP-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB07237 | {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone | VUWFJUJWAWMRQN-HXUWFJFHSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB07244 | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE | SRRWXMSVQYQCRX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB14679 | Quingestanol acetate | FLGJKPPXEKYCBY-AKCFYGDASA-N | PL pro |
| -9.0 | 6crv | DB01166 | Cilostazol | RRGUKTPIGVIEKM-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB14662 | Flunisolide acetate | WEGNFRKBIKYVLC-XTLNBZDDSA-N | PL pro |
| -9.0 | 6w9c | DB14661 | Loperamide oxide | KXVSBTJVTUVNPM-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB07248 | 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE | YENZSPIOXMNEFF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB07249 | N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine | QHIMVPIOWKYPSO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB04853 | Binodenoson | XJFMHMFFBSOEPR-DNZQAUTHSA-N | nucleocapsid protein |
| -9.0 | 6lzg | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6crv | DB14066 | Tetrandrine | WVTKBKWTSCPRNU-KYJUHHDHSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB08003 | ISOTHIAZOLIDINONE ANALOG | UILYPHAKDBTKQV-UFYCRDLUSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB07180 | 5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide | FIRPCWHHIWFKCD-GHXNOFRVSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB00490 | Buspirone | QWCRAEMEVRGPNT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6lxt | DB01177 | Idarubicin | XDXDZDZNSLXDNA-TZNDIEGXSA-N | S2 unit |
| -9.0 | 6w9c | DB15121 | AT-001 | YRGPAXAVTDMKDK-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m2n | DB01289 | Glisoxepide | ZKUDBRCEOBOWLF-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6cs2 | DB13931 | Netarsudil | OURRXQUGYQRVML-AREMUKBSSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB07267 | 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine | JONFDFIXMPXTRH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB08976 | Floctafenine | APQPGQGAWABJLN-GFCCVEGCSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB07203 | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE | OUEGMEMDEAOAEG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB15003 | PF-06700841 | BUWBRTXGQRBBHG-MJBXVCDLSA-N | PL pro |
| -9.0 | 6w9c | DB14937 | MK-8666 | CODQKEMYZZKQAE-QPVYNBJUSA-N | PL pro |
| -9.0 | 6crv | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB14902 | JHU-75528 C-11 | MCNQUWLLXZZZAC-BJUDXGSMSA-N | PL pro |
| -9.0 | 6m3m | DB04863 | Lefradafiban | PGCFXITVMNNKON-ROUUACIJSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB14512 | Mometasone furoate | WOFMFGQZHJDGCX-ZULDAHANSA-N | PL pro |
| -9.0 | 6vxs | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB14214 | Rose bengal lactone | IICCLYANAQEHCI-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB13471 | Nalfurafine | XGZZHZMWIXFATA-UEZBDDGYSA-N | PL pro |
| -9.0 | 6m3m | DB07406 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE | QWFFPYQWUWLDBV-NSHDSACASA-N | nucleocapsid protein |
| -9.0 | 6lxt | DB08881 | Vemurafenib | GPXBXXGIAQBQNI-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6crv | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB12998 | PF-00217830 | QGNOXTFZOLDODX-UHFFFAOYSA-N | PL pro |
| -9.0 | 6crv | DB13939 | RAD-140 | XMBUPPIEVAFYHO-KPZWWZAWSA-N | spike glycoprotein |
| -9.0 | 6lxt | DB08899 | Enzalutamide | WXCXUHSOUPDCQV-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6lzg | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6w9c | DB12885 | CF-102 | IPSYPUKKXMNCNQ-PFHKOEEOSA-N | PL pro |
| -9.0 | 6cs2 | DB13101 | 4SC-202 | PRXXYMVLYKJITB-IZZDOVSWSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w9c | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m3m | DB07479 | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL | WCUHTHVUZQCBTI-KBAYOESNSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | PL pro |
| -9.0 | 6crv | DB11921 | Deflazacort | FBHSPRKOSMHSIF-GRMWVWQJSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB04244 | (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide | YCDHZDINQZLSRR-DNQXCXABSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6cs2 | DB13080 | Roluperidone | RNRYULFRLCBRQS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB00414 | Acetohexamide | VGZSUPCWNCWDAN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | PL pro |
| -9.0 | 6m2n | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB11958 | Brivanib | WCWUXEGQKLTGDX-LLVKDONJSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB08513 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | PAIQRYUOBBCBSE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB13927 | anle138b | RCQIIBJSUWYYFU-UHFFFAOYSA-N | PL pro |
| -9.0 | 7bv1 | DB07993 | N-3-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE | LPQUIIHPUGDHJK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB07323 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | CTZLIARLNXSXGL-ALCCZGGFSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB13993 | MRK-409 | GOIFCXRIFSYPFG-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB13591 | Metopimazine | BQDBKDMTIJBJLA-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB13766 | Lidoflazine | ZBIAKUMOEKILTF-UHFFFAOYSA-N | PL pro |
| -9.0 | 6m2n | DB03944 | 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One | IZLRMTJLQCLMKF-CYBMUJFWSA-N | 3CL pro |
| -9.0 | 6lzg | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6vxx | DB11464 | Sulfaquinoxaline | NHZLNPMOSADWGC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB13991 | Pipequaline | AMEWZCMTSIONOX-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB13664 | Formocortal | QNXUUBBKHBYRFW-QWAPGEGQSA-N | PL pro |
| -9.0 | 6crv | DB01340 | Cilazapril | HHHKFGXWKKUNCY-FHWLQOOXSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB12285 | Verubecestat | YHYKUSGACIYRML-KRWDZBQOSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB07325 | N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | VCOKUBHAJVTVNG-FMIVXFBMSA-N | nucleocapsid protein |
| -9.0 | 6w9c | DB01082 | Streptomycin | UCSJYZPVAKXKNQ-HZYVHMACSA-N | PL pro |
| -9.0 | 6lxt | DB14054 | Asiatic acid | JXSVIVRDWWRQRT-UYDOISQJSA-N | S2 unit |
| -9.0 | 6cs2 | DB15186 | GDC-0084 | LGWACEZVCMBSKW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | nucleocapsid protein |
| -9.0 | 6m71 | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB14795 | AZD-3759 | MXDSJQHFFDGFDK-CYBMUJFWSA-N | 3CL pro |
| -9.0 | 6vxx | DB04014 | Alsterpaullone | OLUKILHGKRVDCT-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB08912 | Dabrafenib | BFSMGDJOXZAERB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB07756 | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL | GPBGHVRNVGXPNM-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB13956 | Estradiol valerate | RSEPBGGWRJCQGY-RBRWEJTLSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w4h | DB09034 | Suvorexant | JYTNQNCOQXFQPK-MRXNPFEDSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB06199 | Atrasentan | MOTJMGVDPWRKOC-QPVYNBJUSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB12500 | Fedratinib | JOOXLOJCABQBSG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w4h | DB08746 | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | ZOSSOFIFNGGDKG-GIJQJNRQSA-N | nsp16 - nsp10 |
| -9.0 | 6vxx | DB04005 | Uridine 5'-triphosphate | PGAVKCOVUIYSFO-XVFCMESISA-N | spike glycoprotein |
| -9.0 | 6w4h | DB09053 | Ibrutinib | XYFPWWZEPKGCCK-GOSISDBHSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB15048 | Licogliflozin | XFJAMQQAAMJFGB-ZQGJOIPISA-N | nucleocapsid protein |
| -9.0 | 6crv | DB06176 | Romidepsin | OHRURASPPZQGQM-GCCNXGTGSA-N | spike glycoprotein |
| -9.0 | 6crv | DB09166 | Etizolam | VMZUTJCNQWMAGF-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB01162 | Terazosin | VCKUSRYTPJJLNI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | nsp16 - nsp10 |
| -9.0 | 6vxx | DB03944 | 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One | IZLRMTJLQCLMKF-CYBMUJFWSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB12833 | Tandospirone | CEIJFEGBUDEYSX-FZDBZEDMSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB07031 | 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid | AANFHDFOMFRLLR-LJQANCHMSA-N | spike glycoprotein |
| -9.0 | 6crv | DB13060 | CEP-37440 | BCSHRERPHLTPEE-NRFANRHFSA-N | spike glycoprotein |
| -9.0 | 6crv | DB05992 | Plinabulin | UNRCMCRRFYFGFX-TYPNBTCFSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB01327 | Cefazolin | MLYYVTUWGNIJIB-BXKDBHETSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB01184 | Domperidone | FGXWKSZFVQUSTL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB07323 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | CTZLIARLNXSXGL-ALCCZGGFSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxs | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxs | DB12690 | LY-2584702 | FYXRSVDHGLUMHB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB14982 | Miransertib | HNFMVVHMKGFCMB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB08304 | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | QZBQVXXESPXFPZ-QGZVFWFLSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB13102 | AZD-8418 | MCPBSUCAISQZQK-JTQLQIEISA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB06999 | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | YZDJQTHVDDOVHR-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w4h | DB08490 | CTS-1027 | ROSNVSQTEGHUKU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | 3CL pro |
| -9.0 | 6crv | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB14929 | Elsulfavirine | ULTDEARCBRNRGR-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB07274 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide | ZATGFXTWDKIEKC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB12055 | MK-0767 | ORZMUVMQJPGFOM-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w4h | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB13046 | Tocladesine | CLLFEJLEDNXZNR-UUOKFMHZSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB13044 | Gossypol | QBKSWRVVCFFDOT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB13024 | MK-8245 | UJEAABFSXKCSGI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB03788 | GC-24 | JYHIGYLGYNCMGI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6lxt | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | S2 unit |
| -9.0 | 6m3m | DB12988 | LY-518674 | PNHFDVSKDSLUFH-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB07287 | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL | AOVDSWPGWPRTSR-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB01025 | Amlexanox | SGRYPYWGNKJSDL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB08513 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | PAIQRYUOBBCBSE-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w4h | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB12696 | BMS-582949 | GDTQLZHHDRRBEB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB11892 | Prulifloxacin | PWNMXPDKBYZCOO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -9.0 | 7bv1 | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 7bv1 | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w4h | DB11912 | Lanopepden | SWHNZGMQMGFQGW-MSOLQXFVSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB11922 | Danirixin | NGYNBSHYFOFVLS-LBPRGKRZSA-N | nsp16 - nsp10 |
| -9.0 | 6lxt | DB02698 | N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid | NQOOJFXBGLOGTC-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6m3m | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB12666 | Emapunil | NBMBIEOUVBHEBM-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB12663 | Letrazuril | XQKYUBTUOHHNDV-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB08912 | Dabrafenib | BFSMGDJOXZAERB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB15145 | Ziresovir | GAAICKUTDBZCMT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB12272 | Vidupiprant | PFWVGKROPKKEDW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m2n | DB12050 | LY-3039478 | YCBAQKQAINQRFW-UGSOOPFHSA-N | 3CL pro |
| -9.0 | 6w4h | DB12068 | T-900607 | FSXLOWIFSZNIMV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxx | DB03337 | 1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea | ZHCAYBOLUMAUQX-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB15157 | Voruciclib | MRPGRAKIAJJGMM-OCCSQVGLSA-N | nucleocapsid protein |
| -9.0 | 6lzg | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6m2n | DB08058 | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one | HGEPGGJUGUMFHT-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB15169 | H3B-6527 | MBWRLLRCTIYXDW-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB03882 | 5-Alpha-Androstane-3-Beta,17beta-Diol | CBMYJHIOYJEBSB-YSZCXEEOSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB07689 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | NYNAFINLHQEHKU-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB12704 | Spiradoline | NYKCGQQJNVPOLU-ONTIZHBOSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB03488 | Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-galactose | NGTCPFGWXMBZEP-NQQHDEILSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB15063 | Inarigivir soproxil | CJCYTUJOSMYXLE-JDLSZIHUSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | nsp16 - nsp10 |
| -9.0 | 6vxx | DB03830 | Phosphorylated Dihydropteroate | DNKVHXNVVYQUDC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB12780 | Quinfamide | SBJGFIXQRZOVTO-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | spike glycoprotein |
| -9.0 | 6crv | DB05796 | Daglutril | XMQODGUTLZXUGZ-RPBOFIJWSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | 3CL pro |
| -9.0 | 6m3m | DB12705 | Cenerimod | KJKKMMMRWISKRF-FQEVSTJZSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB05738 | Vapitadine | VQWGYPVNVICKFC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6cs2 | DB07941 | PH-797804 | KCAJXIDMCNPGHZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB03251 | RWJ-51084 | NQABUEUFRXDDFI-AWEZNQCLSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB11763 | Momelotinib | ZVHNDZWQTBEVRY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB08547 | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | JBBNFGYRYNBDIH-DBGGZKJISA-N | 3CL pro |
| -9.0 | 6w4h | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB11800 | Tivozanib | SPMVMDHWKHCIDT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB00267 | Cefmenoxime | HJJDBAOLQAWBMH-YCRCPZNHSA-N | 3CL pro |
| -9.0 | 6m3m | DB15123 | Dorzagliatin | HMUMWSORCUWQJO-QAPCUYQASA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | nsp16 - nsp10 |
| -9.0 | 6cs2 | DB04107 | [(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester | RNOYCNIZOAIUSV-LSWMGQQCSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB06977 | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine | CAASENZOSQYNPX-HSTJUUNISA-N | spike glycoprotein |
| -9.0 | 6m3m | DB15170 | Evobrutinib | QUIWHXQETADMGN-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB09075 | Edoxaban | HGVDHZBSSITLCT-JLJPHGGASA-N | spike glycoprotein |
| -9.0 | 6m2n | DB00197 | Troglitazone | GXPHKUHSUJUWKP-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w4h | DB07220 | N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE | ZXYIRNXOAJYLCU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB13022 | LY-2874455 | GKJCVYLDJWTWQU-CXLRFSCWSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m2n | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | 3CL pro |
| -9.0 | 6crv | DB15275 | GDC-0077 | SGEUNORSOZVTOL-CABZTGNLSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB08080 | LATRUNCULIN B | NSHPHXHGRHSMIK-JRIKCGFMSA-N | 3CL pro |
| -9.0 | 6w4h | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 7bv1 | DB12341 | LY-2456302 | ZHPMYDSXGRRERG-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB07198 | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE | GGEKOZPXKBYLNK-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB13571 | Pentamycin | AGJUUQSLGVCRQA-SWOUQTJZSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB14717 | Nitrazolam | OYRPNABWTHDOFK-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w4h | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB07204 | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE | DQIXTEDFNFZMCM-SFHVURJKSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB08003 | ISOTHIAZOLIDINONE ANALOG | UILYPHAKDBTKQV-UFYCRDLUSA-N | 3CL pro |
| -9.0 | 6w4h | DB07395 | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | NWQGDIBCFLDHDO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6lxt | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | S2 unit |
| -9.0 | 6m3m | DB14828 | ABX-464 | OZOGDCZJYVSUBR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6lzg | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6vxs | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB13532 | Cyclopenthiazide | BKYKPTRYDKTTJY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6lxt | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | S2 unit |
| -9.0 | 6cs2 | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m71 | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB06907 | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID | XVNRKPCHMYOPPL-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB07453 | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | VFMMPHCGEFXGIP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB06909 | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | QZGJNFBMYYEFGM-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB07406 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE | QWFFPYQWUWLDBV-NSHDSACASA-N | nsp16 - nsp10 |
| -9.0 | 6cs2 | DB03523 | Brequinar | PHEZJEYUWHETKO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 7bv1 | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB02104 | 2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine | PEGMMEYCSOZKIT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB06875 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | NSSOSHDCWCMNDM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB02101 | (S,R)-fidarestat | WAAPEIZFCHNLKK-QPUJVOFHSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB03791 | (3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid | NAXSRXHZFIBFMI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w4h | DB06933 | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | GJTCKUKIFXWJKG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB08391 | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UBIIFKJMNRPNMT-CQSZACIVSA-N | 3CL pro |
| -9.0 | 6lxt | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | S2 unit |
| -9.0 | 6m3m | DB13708 | Fenquizone | DBDTUXMDTSTPQZ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB06959 | (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine | BUCZDJYEOAQTHL-KEKNWZKVSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB06972 | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | TZCXQSNBTXDAJG-QFIPXVFZSA-N | nsp16 - nsp10 |
| -9.0 | 6m71 | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB04064 | Nogalaviketone | QHNJNOBWURJIEK-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB13185 | Oxabolone cipionate | KHKDIUPVDIEHAH-KXLSUQFWSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxx | DB04983 | Denufosol | FPNPSEMJLALQSA-MIYUEGBISA-N | spike glycoprotein |
| -9.0 | 6m71 | DB14876 | TAS-116 | NVVPMZUGELHVMH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w4h | DB07031 | 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid | AANFHDFOMFRLLR-LJQANCHMSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB12084 | ADP-597 | WPDCHTSXOPUOII-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB07167 | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE | NNPCFFIJVKYGHR-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB03598 | Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | XSUAVPPTKHUTDX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB05171 | E-2012 | PUOAETJYKQITMO-LANLRWRYSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB14569 | Tedizolid | XFALPSLJIHVRKE-GFCCVEGCSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m2n | DB14856 | PF-05089771 | ZYSCOUXLBXGGIM-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB13638 | Cefbuperazone | SMSRCGPDNDCXFR-CYWZMYCQSA-N | nucleocapsid protein |
| -9.0 | 6lzg | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6w4h | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m2n | DB14866 | Amcasertib | QDWKGEFGLQMDAM-ULJHMMPZSA-N | 3CL pro |
| -9.0 | 6m3m | DB13312 | Delapril | WOUOLAUOZXOLJQ-MBSDFSHPSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB08491 | N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE | ARIRIZBKMKMEBD-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m2n | DB07848 | 5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide | BHNMMFGOJRIAEZ-LRDDRELGSA-N | 3CL pro |
| -9.0 | 6vxs | DB12764 | ABC-294640 | CAOTVXGYTWCKQE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w4h | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | nsp16 - nsp10 |
| -9.0 | 6vxx | DB04125 | N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine | ZUWBXGHMVKDMQO-DEOSSOPVSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB08039 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | LOGJQOUIVKBFGH-YBEGLDIGSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB07260 | N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline | HITMFLNAOQIZSN-QGZVFWFLSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB14944 | Tarloxotinib | MUJMYVFVAWFUJL-SNAWJCMRSA-O | nsp12-nsp7-nsp8 |
| -9.0 | 6w4h | DB08058 | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one | HGEPGGJUGUMFHT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB08353 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | NCVMTHVSAJMOPI-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6lxt | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6m2n | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6vxs | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB13208 | Prednylidene | WSVOMANDJDYYEY-CWNVBEKCSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB07834 | N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | FOHZGCHKLPIBBX-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6vxx | DB04409 | Naphthalene Trisulfonate | ZPBSAMLXSQCSOX-UHFFFAOYSA-K | spike glycoprotein |
| -9.0 | 6crv | DB15242 | MK-0533 | STWITCBWQHTJFJ-XMMPIXPASA-N | spike glycoprotein |
| -9.0 | 6m3m | DB13930 | Ulixertinib | KSERXGMCDHOLSS-LJQANCHMSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | 3CL pro |
| -9.0 | 6m3m | DB13169 | Nandrolone | NPAGDVCDWIYMMC-IZPLOLCNSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m2n | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w4h | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB15292 | Foliglurax | ZTEDNASHAWNBKQ-NCELDCMTSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB09053 | Ibrutinib | XYFPWWZEPKGCCK-GOSISDBHSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6lxt | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6vxs | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w4h | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB07941 | PH-797804 | KCAJXIDMCNPGHZ-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m2n | DB07936 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine | BACSZMCLZIDTIO-IBGZPJMESA-N | 3CL pro |
| -9.0 | 6m3m | DB02059 | Adenosine-5-Diphosphoribose | SRNWOUGRCWSEMX-ZQSHOCFMSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB14821 | Macozinone | BJDZBXGJNBMCAV-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6crv | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB13434 | Fenticonazole | ZCJYUTQZBAIHBS-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB07685 | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | NMAZGYDYIYLSLJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6cs2 | DB15450 | PF-05105679 | BXNMZRPTQFVRFA-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lzg | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6m3m | DB03701 | Vanoxerine | NAUWTFJOPJWYOT-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m71 | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB11833 | Basimglurant | UPZWINBEAHDTLA-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB07783 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | GUYYFMCFEPDDFL-OAQYLSRUSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB13397 | Prenoxdiazine | PXZDWASDNFWKSD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB08974 | Flubendazole | CPEUVMUXAHMANV-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB13843 | Cloprednol | YTJIBEDMAQUYSZ-FDNPDPBUSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB08905 | Formestane | OSVMTWJCGUFAOD-KZQROQTASA-N | spike glycoprotein |
| -9.0 | 6vxx | DB04740 | MOXALACTAM (HYDROLYZED) | ZTOQXKUYWZBJLG-XNAIMREJSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB15269 | ALK-4290 | DWKNOLCXIFYNFV-HSZRJFAPSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w4h | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB13411 | Lofepramine | SAPNXPWPAUFAJU-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB09200 | Rivoglitazone | XMSXOLDPMGMWTH-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB07085 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | LBMZLHCAPBBOFS-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6vxx | DB05412 | Talmapimod | ZMELOYOKMZBMRB-DLBZAZTESA-N | spike glycoprotein |
| -9.0 | 6m3m | DB12135 | Elubrixin | YQYFEGTYCUQBEI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB05416 | Cardarine | YDBLKRPLXZNVNB-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB02030 | Alpha-Ribazole-5'-Phosphate | ZMRGXEJKZPRBPJ-SYQHCUMBSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB00997 | Doxorubicin | AOJJSUZBOXZQNB-TZSSRYMLSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB02115 | Daidzin | KYQZWONCHDNPDP-QNDFHXLGSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB12129 | Tideglusib | PMJIHLSCWIDGMD-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 7bv1 | DB05713 | LY-517717 | VYNKVNDKAOGAAQ-RUZDIDTESA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6lxt | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | S2 unit |
| -9.0 | 6w4h | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6vxx | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB08197 | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime | KYIXUSLGFINPTC-WVFAEZDRSA-N | 3CL pro |
| -9.0 | 6m2n | DB15132 | AZD-8165 | YUHNXUAATAMVKD-PZJWPPBQSA-N | 3CL pro |
| -9.0 | 6w4h | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | nsp16 - nsp10 |
| -9.0 | 6cs2 | DB11867 | JNJ-39393406 | IURMHZBQEYNQOH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lzg | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6vxs | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB07706 | 2-Hydrox1tradiol | DILDHNKDVHLEQB-XSSYPUMDSA-N | spike glycoprotein |
| -9.0 | 6crv | DB04578 | (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | OEVYDSSAPNIURZ-AEFFLSMTSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB07410 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | BYVXAUZOTGITQZ-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | nsp16 - nsp10 |
| -9.0 | 6lzg | DB15011 | Avacopan | PUKBOVABABRILL-YZNIXAGQSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6m3m | DB12043 | Sepetaprost | BKVUSNOUTQMSBE-XCMGCKIWSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB07702 | 17alpha-Estriol | PROQIPRRNZUXQM-PNVOZDDCSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB08865 | Crizotinib | KTEIFNKAUNYNJU-GFCCVEGCSA-N | 3CL pro |
| -9.0 | 6m3m | DB01532 | alpha-Methylacetylfentanyl | OKTLVZBUKMRPLL-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB12147 | Erdafitinib | OLAHOMJCDNXHFI-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB15071 | Omidenepag isopropyl | VIQCWEGEHRBLAC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w4h | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB07105 | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE | IEEYGOJDTRVYGR-HNNXBMFYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB07647 | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL | VBASHTSSQNDDAS-CQSZACIVSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m71 | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxs | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6vxx | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB07678 | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL | ANAMDWGJXBYJEB-OPWFCKQNSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB12194 | Atamestane | PEPMWUSGRKINHX-TXTPUJOMSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB07011 | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | HHOPJGKEAIIIDF-FQEVSTJZSA-N | spike glycoprotein |
| -9.0 | 6crv | DB07716 | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL | VDRIXSJOPKVWKM-HXGIDPQASA-N | spike glycoprotein |
| -9.0 | 6m2n | DB12302 | CP-724714 | LLVZBTWPGQVVLW-SNAWJCMRSA-N | 3CL pro |
| -9.0 | 6lxt | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6w4h | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB11984 | Letaxaban | GEHAEMCVKDPMKO-HXUWFJFHSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB04706 | (3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL | OYXZMSRRJOYLLO-KGZHIOMZSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB14066 | Tetrandrine | WVTKBKWTSCPRNU-KYJUHHDHSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB04704 | 20-hydroxycholesterol | MCKLJFJEQRYRQT-MGNSQDQZSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6vxx | DB02115 | Daidzin | KYQZWONCHDNPDP-QNDFHXLGSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB00443 | Betamethasone | UREBDLICKHMUKA-DVTGEIKXSA-N | 3CL pro |
| -9.0 | 6vxx | DB02104 | 2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine | PEGMMEYCSOZKIT-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6wiq | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | nsp7-nsp8 |
| -9.0 | 6cs2 | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w4h | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6cs2 | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxs | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB00637 | Astemizole | GXDALQBWZGODGZ-UHFFFAOYSA-N | PL pro |
| -9.0 | 6crv | DB12833 | Tandospirone | CEIJFEGBUDEYSX-FZDBZEDMSA-N | spike glycoprotein |
| -9.0 | 6crv | DB08950 | Indoramin | JXZZEXZZKAWDSP-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6lzg | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6m2n | DB12364 | Betrixaban | XHOLNRLADUSQLD-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB11893 | Avagacestat | XEAOPVUAMONVLA-QGZVFWFLSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB07159 | Tamatinib | NHHQJBCNYHBUSI-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m2n | DB14569 | Tedizolid | XFALPSLJIHVRKE-GFCCVEGCSA-N | 3CL pro |
| -9.0 | 6m3m | DB11883 | SB-705498 | JYILLRHXRVTRSH-GFCCVEGCSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB15187 | Dubermatinib | YUAALFPUEOYPNX-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6cs2 | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w4h | DB04408 | Ncs-Chromophore | QZGIWPZCWHMVQL-UIYAJPBUSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB04158 | 6-(Adenosine Tetraphosphate-Methyl)-7,8-Dihydropterin | ZKRKFZJAQKKHKL-SUGPNEFASA-N | nsp16 - nsp10 |
| -9.0 | 6vxx | DB05653 | IRX-5183 | PNAWUIKCVQSLFG-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w9c | DB01029 | Irbesartan | YOSHYTLCDANDAN-UHFFFAOYSA-N | PL pro |
| -9.0 | 6w9c | DB01030 | Topotecan | UCFGDBYHRUNTLO-QHCPKHFHSA-N | PL pro |
| -9.0 | 6crv | DB04131 | 10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione | BLGDWFJQIHBUJY-NWJGULHDSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lxt | DB03460 | Violaxanthin | SZCBXWMUOPQSOX-WVJDLNGLSA-N | S2 unit |
| -9.0 | 6vxx | DB06410 | Doxercalciferol | HKXBNHCUPKIYDM-CGMHZMFXSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w9c | DB00834 | Mifepristone | VKHAHZOOUSRJNA-GCNJZUOMSA-N | PL pro |
| -9.0 | 6w4b | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | nsp9 |
| -9.0 | 6crv | DB12696 | BMS-582949 | GDTQLZHHDRRBEB-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB00522 | Bentiromide | SPPTWHFVYKCNNK-FQEVSTJZSA-N | 3CL pro |
| -9.0 | 6m2n | DB00481 | Raloxifene | GZUITABIAKMVPG-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w4h | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m2n | DB12101 | CC-220 | IXZOHGPZAQLIBH-NRFANRHFSA-N | 3CL pro |
| -9.0 | 6crv | DB07080 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | SGIWFELWJPNFDH-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB12011 | Fevipiprant | GFPPXZDRVCSVNR-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB12015 | Alpelisib | STUWGJZDJHPWGZ-LBPRGKRZSA-N | 3CL pro |
| -9.0 | 6crv | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | spike glycoprotein |
| -9.0 | 6m71 | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB14037 | Madecassic acid | PRAUVHZJPXOEIF-AOLYGAPISA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxx | DB01861 | Uridine diphosphate glucose | HSCJRCZFDFQWRP-JZMIEXBBSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m71 | DB06856 | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE | HUYQYLFFFNSAAX-BUXKBTBVSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB12000 | Apabetalone | NETXMUIMUZJUTB-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m3m | DB04086 | 2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside | WFVCNOHOODVBQK-IUBYCILNSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB11969 | Uprosertib | AXTAPYRUEKNRBA-JTQLQIEISA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB07444 | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE | PKPNSCZPIWCHMW-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB07770 | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID | DJPFUQBNQLKCAB-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB13766 | Lidoflazine | ZBIAKUMOEKILTF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w9c | DB00443 | Betamethasone | UREBDLICKHMUKA-DVTGEIKXSA-N | PL pro |
| -9.0 | 6cs2 | DB09076 | Umeclidinium | FVTWTVQXNAJTQP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | spike glycoprotein |
| -9.0 | 6vxs | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w4h | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6lxt | DB07689 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | NYNAFINLHQEHKU-UHFFFAOYSA-N | S2 unit |
| -9.0 | 6w4b | DB12886 | GSK-1521498 | WIEDUMBCZQRGSY-UHFFFAOYSA-N | nsp9 |
| -9.0 | 6vxx | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB05408 | Emricasan | SCVHJVCATBPIHN-SJCJKPOMSA-N | nsp16 - nsp10 |
| -9.0 | 7bv1 | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB15229 | CNV-2197944 | BLFJGFDZMABYMY-ZDUSSCGKSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB15048 | Licogliflozin | XFJAMQQAAMJFGB-ZQGJOIPISA-N | 3CL pro |
| -9.0 | 6vxs | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6wiq | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | nsp7-nsp8 |
| -9.0 | 6m3m | DB12463 | Semagacestat | PKXWXXPNHIWQHW-RCBQFDQVSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB12434 | Steviolbioside | OMHUCGDTACNQEX-OSHKXICASA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w4h | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6cs2 | DB11662 | Rabusertib | SYYBDNPGDKKJDU-ZDUSSCGKSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m2n | DB00324 | Fluorometholone | FAOZLTXFLGPHNG-KNAQIMQKSA-N | 3CL pro |
| -9.0 | 6w4h | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB02224 | Taxifolin | CXQWRCVTCMQVQX-LSDHHAIUSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB03199 | 4-Methoxy-E-Rhodomycin T | XSSVYBYWQBNYOH-QJIXERIWSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB08861 | DPDPE | MCMMCRYPQBNCPH-WMIMKTLMSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB08873 | Boceprevir | LHHCSNFAOIFYRV-DOVBMPENSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB12379 | Indirubin | CRDNMYFJWFXOCH-BUHFOSPRSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | nucleocapsid protein |
| -9.0 | 6vxx | DB02833 | [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine | DYTKVFHLKPDNRW-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | spike glycoprotein |
| -9.0 | 6crv | DB04740 | MOXALACTAM (HYDROLYZED) | ZTOQXKUYWZBJLG-XNAIMREJSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6cs2 | DB08865 | Crizotinib | KTEIFNKAUNYNJU-GFCCVEGCSA-N | ACE2 area for S-protein binding |
| -9.0 | 7bv1 | DB06409 | Morphine glucuronide | GNJCUHZOSOYIEC-GAROZEBRSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 7bv1 | DB06454 | Sarizotan | HKFMQJUJWSFOLY-OAQYLSRUSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB05116 | Thymectacin | CFBLUORPOFELCE-BACVZHSASA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m3m | DB12566 | Decernotinib | ASUGUQWIHMTFJL-QGZVFWFLSA-N | nucleocapsid protein |
| -9.0 | 6cs2 | DB04172 | [2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine | WATXEHGLYJKXOF-NDEPHWFRSA-N | ACE2 area for S-protein binding |
| -9.0 | 6m2n | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6w4h | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB15191 | MAX-40279 | AVIOBQFPAGEICQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB15208 | NOP-1A | MZBCQWLYUQJXKA-KRWDZBQOSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6vxx | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6m3m | DB13991 | Pipequaline | AMEWZCMTSIONOX-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6m71 | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w4h | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB12512 | Verucerfont | VKHVAUKFLBBZFJ-SFHVURJKSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB14929 | Elsulfavirine | ULTDEARCBRNRGR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6m3m | DB02220 | AL7089A | RMOXCYSVWCHXII-LBPRGKRZSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB05154 | Pretomanid | ZLHZLMOSPGACSZ-NSHDSACASA-N | spike glycoprotein |
| -9.0 | 6m3m | DB01081 | Diphenoxylate | HYPPXZBJBPSRLK-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB09209 | Pholcodine | GPFAJKDEDBRFOS-FKQDBXSBSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB07530 | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol | PCHUQQNKOFNVDU-OSXMSNBXSA-N | 3CL pro |
| -9.0 | 6m3m | DB12500 | Fedratinib | JOOXLOJCABQBSG-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB00136 | Calcitriol | GMRQFYUYWCNGIN-NKMMMXOESA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | nsp16 - nsp10 |
| -9.0 | 6crv | DB05197 | Sofalcone | GFWRVVCDTLRWPK-KPKJPENVSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB12885 | CF-102 | IPSYPUKKXMNCNQ-PFHKOEEOSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | nucleocapsid protein |
| -9.0 | 6vxs | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6cs2 | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6lzg | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6crv | DB12863 | Sivelestat | BTGNGJJLZOIYID-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lzg | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6m2n | DB15078 | Rogaratinib | HNLRRJSKGXOYNO-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m3m | DB15381 | Menaquinone | HYPYXGZDOYTYDR-HAJWAVTHSA-N | nucleocapsid protein |
| -9.0 | 6m2n | DB14787 | BMS-830216 | YDTUJCNTIMWHPJ-NRFANRHFSA-N | 3CL pro |
| -9.0 | 7bv1 | DB12290 | Puerarin | HKEAFJYKMMKDOR-VPRICQMDSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6crv | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB02498 | Carba-Nicotinamide-Adenine-Dinucleotide | DGPLSUKWXXSBCU-VGXGLJSLSA-O | spike glycoprotein |
| -9.0 | 6crv | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB11765 | PF-04991532 | GKMLFBRLRVQVJO-ZDUSSCGKSA-N | ACE2 area for S-protein binding |
| -9.0 | 6vxx | DB07324 | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE | ZUJWSOPIDUWELP-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6vxx | DB02491 | 4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine | CJSSYVIHFXDFFC-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB07006 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE | AOGOZJCRIFBTTN-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6lzg | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6m71 | DB08339 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | ZIQFYVPVJZEOFS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6vxs | DB15057 | NUC-1031 | NHTKGYOMICWFQZ-KKQYNPQSSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6w4b | DB12892 | MGB-BP-3 | OEKXCVYZBVOWBR-BQYQJAHWSA-N | nsp9 |
| -9.0 | 6m3m | DB12242 | AZD-7762 | IAYGCINLNONXHY-LBPRGKRZSA-N | nucleocapsid protein |
| -9.0 | 6m3m | DB12238 | MK-0777 | QKIWQBLNTSQOLY-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB12474 | Lynestrenol | YNVGQYHLRCDXFQ-XGXHKTLJSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6w4h | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | nsp16 - nsp10 |
| -9.0 | 6cs2 | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB07638 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL | QJSMFUTULGSHNQ-ZOBUZTSGSA-N | spike glycoprotein |
| -9.0 | 6lzg | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -9.0 | 6m3m | DB12270 | Losmapimod | KKYABQBFGDZVNQ-UHFFFAOYSA-N | nucleocapsid protein |
| -9.0 | 6w4h | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | nsp16 - nsp10 |
| -9.0 | 6vxs | DB13164 | Olmutinib | FDMQDKQUTRLUBU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -9.0 | 6crv | DB15206 | Uprifosbuvir | SFPFZQKYPOWCSI-KHFYHRBSSA-N | spike glycoprotein |
| -9.0 | 7bv1 | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6m2n | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | 3CL pro |
| -9.0 | 6m2n | DB07422 | (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | MMNRWNREMUMYQG-INIZCTEOSA-N | 3CL pro |
| -9.0 | 6m3m | DB13997 | Baloxavir marboxil | RZVPBGBYGMDSBG-GGAORHGYSA-N | nucleocapsid protein |
| -9.0 | 7bv1 | DB06395 | Abafungin | TYBHXIFFPVFXQW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -9.0 | 6cs2 | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6crv | DB04885 | Cilansetron | NCNFDKWULDWJDS-OAHLLOKOSA-N | spike glycoprotein |
| -9.0 | 6w4h | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6m2n | DB14640 | Isoflupredone acetate | ZOCUOMKMBMEYQV-GSLJADNHSA-N | 3CL pro |
| -9.0 | 6vxx | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB12408 | PF-03635659 | WGOJWDWKHJHXSV-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6cs2 | DB07879 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide | SMSIXMLQOONOQQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -9.0 | 6w4h | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | nsp16 - nsp10 |
| -9.0 | 6m3m | DB15307 | Atabecestat | VLLFGVHGKLDDLW-SFHVURJKSA-N | nucleocapsid protein |
| -9.0 | 6crv | DB06993 | (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine | PTAHVQJZNFGPHN-WFWWEWPISA-N | spike glycoprotein |
| -9.0 | 6crv | DB06994 | (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine | XCCSSVMRGIQMGF-LPHOPBHVSA-N | spike glycoprotein |
| -9.0 | 6crv | DB09235 | Efonidipine | NSVFSAJIGAJDMR-UHFFFAOYSA-N | spike glycoprotein |
| -9.0 | 6crv | DB04863 | Lefradafiban | PGCFXITVMNNKON-ROUUACIJSA-N | spike glycoprotein |
| -9.0 | 6m2n | DB08710 | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE | BKZOQCGDCHOGOQ-MZLJFPOFSA-N | 3CL pro |
| -9.0 | 6w4h | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6w4h | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -9.0 | 6lzg | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 7bv1 | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB11987 | GSK-2018682 | NFIGDBFIDKDNIG-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB12165 | Presatovir | GOFXWTVKPWJNGD-UWJYYQICSA-N | S2 unit |
| -8.9 | 6m2n | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxx | DB06519 | Edaglitazone | HAAXAFNSRADSMK-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB02738 | Adenosine-5'-Pentaphosphate | WYJWVZZCMBUPSP-KQYNXXCUSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB11260 | Diacetyl benzoyl lathyrol | JPYYWXPAHJBKJX-VWSFRBHVSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB04030 | 1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole | ADXYEWMDAGIULV-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6crv | DB12141 | Gilteritinib | GYQYAJJFPNQOOW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB06985 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | MEAQCLPMSVEOQF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB07584 | N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | OKGCSZUKOGMZAL-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB06995 | N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide | USBSTVPJNQLYEM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB08942 | Isoxicam | YYUAYBYLJSNDCX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08230 | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | ARSRJFRKVXALTF-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB12996 | Acteoside | FBSKJMQYURKNSU-ZLSOWSIRSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m2n | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | 3CL pro |
| -8.9 | 6crv | DB12073 | Albaconazole | UHIXWHUVLCAJQL-MPBGBICISA-N | spike glycoprotein |
| -8.9 | 6m71 | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB08597 | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | XHBVYDAKJHETMP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB12021 | Dinaciclib | PIMQWRZWLQKKBJ-SFHVURJKSA-N | 3CL pro |
| -8.9 | 6vxx | DB07697 | 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine | HMGDKYUJSFVHIY-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08057 | N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine | VWJPPYCULHDHBB-HNNXBMFYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07323 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | CTZLIARLNXSXGL-ALCCZGGFSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08063 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE | HLZMYWLMBBLASX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08097 | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE | OGWSGDLIXOEZJG-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB12952 | Methylprednisone | SVYCRJXQZUCUND-PQXSVQADSA-N | 3CL pro |
| -8.9 | 7bv1 | DB07789 | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea | KNTGXMNWVXZIMW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB08590 | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE | CEAYRKIZESVQSN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07406 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE | QWFFPYQWUWLDBV-NSHDSACASA-N | spike glycoprotein |
| -8.9 | 6lxt | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6vxx | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07971 | 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE | FQQVTDIBUYSVHM-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08794 | Ethyl biscoumacetate | JCLHQFUTFHUXNN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB03126 | Mant-Adp | QPKUEBLEGWBRHC-BFHYXJOUSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07485 | 4,4'-cyclohexane-1,1-diyldiphenol | SDDLEVPIDBLVHC-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07982 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol | PVTKDXZNSUHUMO-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB01774 | Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester | WFPZSXYXPSUOPY-ROYWQJLOSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB09199 | Netoglitazone | PKWDZWYVIHVNKS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB07453 | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | VFMMPHCGEFXGIP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB04960 | Tipifarnib | PLHJCIYEEKOWNM-HHHXNRCGSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB07423 | (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | YVXVTLGIDOACBJ-SFHVURJKSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08005 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide | ARMFMDYRYOKSOW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07422 | (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | MMNRWNREMUMYQG-INIZCTEOSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB03159 | CRA_8696 | GAVRMVQHHVMXFD-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12084 | ADP-597 | WPDCHTSXOPUOII-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07458 | 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-KRWDZBQOSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB07426 | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | NWIARQRYIRVYCM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB07081 | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | FDEXEPZGMKFCTG-PSASIEDQSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08770 | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | PWTBZOIUWZOPFT-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB12479 | Zabofloxacin | ZNPOCLHDJCAZAH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | S2 unit |
| -8.9 | 6crv | DB12011 | Fevipiprant | GFPPXZDRVCSVNR-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB06634 | Casopitant | XGGTZCKQRWXCHW-WMTVXVAQSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lxt | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | S2 unit |
| -8.9 | 6vxx | DB07793 | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | ACSGSLPOHKRZCY-GXTWGEPZSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08882 | Linagliptin | LTXREWYXXSTFRX-QGZVFWFLSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB06879 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE | QCFIRACCCDFXIP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB02154 | 2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid | FFYBYVPVYLMLAR-KBPBESRZSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB01557 | ??-Methylfentanyl | NGTVDHYUFBKWID-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB06871 | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | FQMQOMRDADWGJJ-GBESFXJTSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB13993 | MRK-409 | GOIFCXRIFSYPFG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB07252 | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | TZHCXOMEOHEZDX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB07834 | N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | FOHZGCHKLPIBBX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB08498 | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | OVSAMUIBGQSLDC-INIZCTEOSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB07053 | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | TWVYNPULGKGJOS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07045 | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | VBJKVZXRYLCYGQ-XNIJJKJLSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB02195 | 3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine | ZSMYZLKEZDYVPI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB08446 | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile | OHQMEDBYNUAVNE-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB07830 | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE | DIRIFWIKLRTNMB-DYVFJYSZSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6cs2 | DB07453 | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | VFMMPHCGEFXGIP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6cs2 | DB03460 | Violaxanthin | SZCBXWMUOPQSOX-WVJDLNGLSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxx | DB07000 | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | ILXJWLWSYAWJKZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB06994 | (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine | XCCSSVMRGIQMGF-LPHOPBHVSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12022 | Evatanepag | WOHRHWDYFNWPNG-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -8.9 | 7bv1 | DB08353 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | NCVMTHVSAJMOPI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB07140 | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | JPENSYBRTSIYGO-AWEZNQCLSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB08495 | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | VXONTEUOQXFJJS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08463 | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol | HOCBJBNQIQQQGT-LJQANCHMSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB03895 | Malachite Green | VFCNQNZNPKRXIT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB12113 | CE-224535 | FUCKCIVGBCBZNP-MRXNPFEDSA-N | 3CL pro |
| -8.9 | 6m71 | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB09226 | RP-5063 | PMKMNTBZJOXTJW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB15191 | MAX-40279 | AVIOBQFPAGEICQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB06786 | Halcinonide | MUQNGPZZQDCDFT-JNQJZLCISA-N | spike glycoprotein |
| -8.9 | 6vxx | DB02854 | Aetiocholanolone | QGXBDMJGAMFCBF-BNSUEQOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB15207 | Esaxerenone | NOSNHVJANRODGR-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB01342 | Forasartan | YONOBYIBNBCDSJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB12290 | Puerarin | HKEAFJYKMMKDOR-VPRICQMDSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB04238 | N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid | GNANSBQAIRJZPA-XZOQPEGZSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB02673 | (4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium | VLGAHTYYCHWLNI-BHRZLAGCSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB02616 | FR117016 | CKJGKHXCUDWFDC-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB06747 | ginkgolide-M | KDKROYXEHCYLJQ-FJFAJXJPSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | S2 unit |
| -8.9 | 6lxt | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6vxx | DB06743 | Ginkgolide A | FPUXKXIZEIDQKW-VKMVSBOZSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB02519 | Indirubin-5-Sulphonate | IHBOEHLUIBMBMY-YPKPFQOOSA-N | S2 unit |
| -8.9 | 6vxx | DB02567 | PD173955 | VAARYSWULJUGST-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB00251 | Terconazole | BLSQLHNBWJLIBQ-OZXSUGGESA-N | spike glycoprotein |
| -8.9 | 6crv | DB12235 | Estetrol | AJIPIJNNOJSSQC-NYLIRDPKSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB12500 | Fedratinib | JOOXLOJCABQBSG-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6cs2 | DB04841 | Flunarizine | SMANXXCATUTDDT-QPJJXVBHSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB08707 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine | AQVFETGXIRKVAQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08555 | 1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline | IKGXHBGCVQTQBH-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB02919 | 2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine | PUOZHLHNKHRTOW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | S2 unit |
| -8.9 | 6m2n | DB11902 | Gisadenafil | YPFZMBHKIVDSNR-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxx | DB03496 | Alvocidib | BIIVYFLTOXDAOV-YVEFUNNKSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14152 | Ginsenosides | NLHQJXWYMZLQJY-SWIZOJJJSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB03480 | Brequinar Analog | WYKKHJQZENLZID-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB11765 | PF-04991532 | GKMLFBRLRVQVJO-ZDUSSCGKSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB03355 | 5'-O-(N-(L-Threonyl)-Sulfamoyl)Adenosine | UPVAPSGKXAAHBG-CKTDUXNWSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB15056 | Bifenthrin | OMFRMAHOUUJSGP-IRHGGOMRSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6vxx | DB03300 | Pterin Cytosine Dinucleotide | WKSPNQYEWZEMMI-FEFZDOOUSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB12494 | SGI-1776 | MHXGEROHKGDZGO-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6cs2 | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB11749 | (R)-Praziquantel | FSVJFNAIGNNGKK-KRWDZBQOSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB08137 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide | ZMWYSLJBNJUCRK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB02358 | LY374571 | SZHRIPFGZWWRKW-VIFPVBQESA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB15108 | Tipranavir C-14 | SUJUHGSWHZTSEU-MWQIXQBFSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB02259 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide | VSYGXLAJQDAWCZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB03035 | 1,8-Di-Hydroxy-4-Nitro-Anthraquinone | RIYCICFDXLNQPV-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB12515 | 9-aminocamptothecin | FUXVKZWTXQUGMW-FQEVSTJZSA-N | 3CL pro |
| -8.9 | 6vxx | DB04612 | N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | QKPXPZYQPBWDHS-MCJAPYMPSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m3m | DB01737 | Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester | YAEIKQDHLCFGAA-KRWDZBQOSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB09279 | Fimasartan | AMEROGPZOLAFBN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08352 | 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine | FQYJTHIYAQQJAB-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB11184 | Oftasceine | DEGAKNSWVGKMLS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lu7 | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | Replicase polyprotein 1ab |
| -8.9 | 6vxx | DB01865 | 3-(6-Aminopyridin-3-Yl)-N-Methyl-N-[(1-Methyl-1h-Indol-2-Yl)Methyl]Acrylamide | AKFPMLBVLWZSQX-CSKARUKUSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08184 | 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE | YOZKTHGEOJHIDP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB01030 | Topotecan | UCFGDBYHRUNTLO-QHCPKHFHSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB11260 | Diacetyl benzoyl lathyrol | JPYYWXPAHJBKJX-VWSFRBHVSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12273 | Ecopipam | DMJWENQHWZZWDF-PKOBYXMFSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxx | DB00776 | Oxcarbazepine | CTRLABGOLIVAIY-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB11478 | Zeranol | DWTTZBARDOXEAM-GXTWGEPZSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6cs2 | DB08207 | 2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE | BIHLSRJPJFOESJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB05532 | BMS-488043 | DBPMWRYLTBNCCE-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB05552 | TG100-115 | UJIAQDJKSXQLIT-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB05983 | Bardoxolone methyl | WPTTVJLTNAWYAO-KPOXMGGZSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB02102 | DMP450 | KYRSNWPSSXSNEP-ZRTHHSRSSA-N | S2 unit |
| -8.9 | 6vxx | DB05667 | Levoketoconazole | XMAYWYJOQHXEEK-ZEQKJWHPSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB12385 | 10-hydroxycamptothecin | HAWSQZCWOQZXHI-FQEVSTJZSA-N | 3CL pro |
| -8.9 | 6m3m | DB01864 | 5'-Guanosine-Diphosphate-Monothiophosphate | XOFLBQFBSOEHOG-UUOKFMHZSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lu7 | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | Replicase polyprotein 1ab |
| -8.9 | 6crv | DB11115 | Ensulizole | UVCJGUGAGLDPAA-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB11950 | Teneligliptin | WGRQANOPCQRCME-PMACEKPBSA-N | 3CL pro |
| -8.9 | 6m71 | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB05295 | Eldecalcitol | FZEXGDDBXLBRTD-AYIMTCTASA-N | spike glycoprotein |
| -8.9 | 6m71 | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB08159 | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE | AHIJTWCJGCWHMT-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB14037 | Madecassic acid | PRAUVHZJPXOEIF-AOLYGAPISA-N | S2 unit |
| -8.9 | 6m2n | DB12301 | Doravirine | ZIAOVIPSKUPPQW-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m2n | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | 3CL pro |
| -8.9 | 6m3m | DB01771 | CRA_10991 | QXAURVOBXQBPAP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m71 | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB13682 | Cefpirome | DKOQGJHPHLTOJR-WHRDSVKCSA-N | 3CL pro |
| -8.9 | 6crv | DB11648 | Afuresertib | AFJRDFWMXUECEW-LBPRGKRZSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB01792 | Adenylyl-3'-5'-Phospho-Uridine-3'-Monophosphate | FZCSEXOMUJFOHQ-KPKSGTNCSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB00683 | Midazolam | DDLIGBOFAVUZHB-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB14066 | Tetrandrine | WVTKBKWTSCPRNU-KYJUHHDHSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB12436 | Vofopitant | XILNRORTJVDYRH-HKUYNNGSSA-N | 3CL pro |
| -8.9 | 6crv | DB08715 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL | SLPKYEWAKMNCPT-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lu7 | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | Replicase polyprotein 1ab |
| -8.9 | 6lxt | DB14793 | RO-5045337 | QBGKPEROWUKSBK-QPPIDDCLSA-N | S2 unit |
| -8.9 | 6crv | DB09534 | Ecamsule | HEAHZSUCFKFERC-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB07769 | S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | KJMFOTCDISOHDX-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB09304 | Setiptiline | GVPIXRLYKVFFMK-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB09177 | p-Fluorofentanyl | KXUBAVLIJFTASZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | S2 unit |
| -8.9 | 6crv | DB09173 | Butyrfentanyl | QQOMYEQLWQJRKK-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB11867 | JNJ-39393406 | IURMHZBQEYNQOH-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m71 | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB03744 | Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate | RONLONYAIBUEKT-IBGZPJMESA-N | spike glycoprotein |
| -8.9 | 6m71 | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB07458 | 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-KRWDZBQOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB05105 | Pleconaril | KQOXLKOJHVFTRN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB02102 | DMP450 | KYRSNWPSSXSNEP-ZRTHHSRSSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB05076 | Fenretinide | AKJHMTWEGVYYSE-FXILSDISSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08745 | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | QLHUDNKWOSQSMK-CXUHLZMHSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB08742 | 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z) | CEEUUHVULXTFGS-BQXVGYHGSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB12389 | Zamicastat | ZSSLCFLHEFXANG-GOSISDBHSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB05992 | Plinabulin | UNRCMCRRFYFGFX-TYPNBTCFSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | ACE2 area for S-protein binding |
| -8.9 | 6cs2 | DB07546 | [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid | BBYRUZKRFAIQSR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m71 | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB04908 | Flibanserin | PPRRDFIXUUSXRA-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | S2 unit |
| -8.9 | 6vxx | DB12428 | PAC-14028 | UKGJZDSUJSPAJL-YPUOHESYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6crv | DB12165 | Presatovir | GOFXWTVKPWJNGD-UWJYYQICSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB09008 | Cefaloridine | CZTQZXZIADLWOZ-CRAIPNDOSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12364 | Betrixaban | XHOLNRLADUSQLD-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB02716 | 7-Methyl-Guanosine-5'-Triphosphate | DKVRNHPCAOHRSI-KQYNXXCUSA-O | spike glycoprotein |
| -8.9 | 7bv1 | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB07245 | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE | AEVBKBAFFJKFJZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB07570 | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | ZKEZEXYKYHYIMQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB11962 | GSK-1059615 | QDITZBLZQQZVEE-YBEGLDIGSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB06940 | N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | ZZTMFGIGOADCFX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lxt | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6vxx | DB07563 | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine | GCJSOJRPNOWSEH-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB06346 | Fiboflapon | DFQGDHBGRSTTHX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB06345 | AR-9281 | HUDQLWBKJOMXSZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB11950 | Teneligliptin | WGRQANOPCQRCME-PMACEKPBSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB12115 | AZD-9164 | FNYFFCOCVNTJCD-NNMXADRKSA-N | 3CL pro |
| -8.9 | 6m71 | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB11964 | Ilaprazole | HRRXCXABAPSOCP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB13044 | Gossypol | QBKSWRVVCFFDOT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB11845 | Lucitanib | CUDVHEFYRIWYQD-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB11864 | Preladenant | DTYWJKSSUANMHD-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB01571 | 3-Methylfentanyl | MLQRZXNZHAOCHQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB06266 | Lonidamine | WDRYRZXSPDWGEB-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6vxx | DB07538 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE | RGVVHQNJKUNSFQ-WDZFZDKYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB11921 | Deflazacort | FBHSPRKOSMHSIF-GRMWVWQJSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08656 | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide | UVERBUNNCOKGNZ-CQSZACIVSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB06213 | Regadenoson | LZPZPHGJDAGEJZ-AKAIJSEGSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB08951 | Indoprofen | RJMIEHBSYVWVIN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB04845 | Ixabepilone | FABUFPQFXZVHFB-PVYNADRNSA-N | spike glycoprotein |
| -8.9 | 6crv | DB09022 | Benfluorex | CJAVTWRYCDNHSM-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | S2 unit |
| -8.9 | 6cs2 | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | ACE2 area for S-protein binding |
| -8.9 | 6lxt | DB12116 | Epigallocatechin gallate | WMBWREPUVVBILR-WIYYLYMNSA-N | S2 unit |
| -8.9 | 6m71 | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB11827 | Ertugliflozin | MCIACXAZCBVDEE-CUUWFGFTSA-N | spike glycoprotein |
| -8.9 | 6crv | DB11824 | Tofogliflozin | VWVKUNOPTJGDOB-BDHVOXNPSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB04020 | 4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol | AIBKIFHSQQYXLG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lxt | DB02859 | Soraphen A | WPMGNXPRKGXGBO-OFQQMTDKSA-N | S2 unit |
| -8.9 | 6m2n | DB11885 | Anlotinib | KSMZEXLVHXZPEF-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m2n | DB13451 | Tioclomarol | WRGOVNKNTPWHLZ-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB01326 | Cefamandole | OLVCFLKTBJRLHI-AXAPSJFSSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB12325 | Idasanutlin | TVTXCJFHQKSQQM-LJQIRTBHSA-N | S2 unit |
| -8.9 | 6vxx | DB13088 | AZD-0424 | MVWATCATLSSVBH-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB11896 | Gedatolisib | DWZAEMINVBZMHQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB03921 | 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline | IBCXZJCWDGCXQT-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB13606 | Phenazocine | ZQHYKVKNPWDQSL-KNXBSLHKSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB03903 | Tmr | KGFLZYXDJDOIEE-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB12260 | Radiprodil | GKGRZLGAQZPEHO-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 7bv1 | DB06346 | Fiboflapon | DFQGDHBGRSTTHX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB14726 | Dabigatran | YBSJFWOBGCMAKL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB01689 | Inhibitor Idd 384 | CJKKMQCZOLCXAM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB11784 | NRX-1074 | DVBUEXCIEIAXPM-PJUQSVSOSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB02224 | Taxifolin | CXQWRCVTCMQVQX-LSDHHAIUSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB13022 | LY-2874455 | GKJCVYLDJWTWQU-CXLRFSCWSA-N | spike glycoprotein |
| -8.9 | 6crv | DB11875 | 3,3'-diindolylmethane | VFTRKSBEFQDZKX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB06590 | Ceftaroline fosamil | ZCCUWMICIWSJIX-NQJJCJBVSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lxt | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6vxx | DB12483 | Copanlisib | PZBCKZWLPGJMAO-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | S2 unit |
| -8.9 | 6m2n | DB12680 | Intepirdine | JJZFWROHYSMCMU-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxx | DB07861 | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide | MMOUXLMPQFMDRD-JOCHJYFZSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB02485 | Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid | TXCIAUNLDRJGJZ-BILDWYJOSA-N | nucleocapsid protein |
| -8.9 | 6m71 | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB04791 | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | DKBAWRNTUZFJKV-BSDSXHPESA-N | spike glycoprotein |
| -8.9 | 6vxx | DB04790 | 2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol | IBIUTOFGXGGVKQ-XMTFNYHQSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB14802 | ONO-2952 | ZBQMTQGDBFZUBG-NRFANRHFSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6crv | DB12193 | Ajulemic acid | YCHYFHOSGQABSW-RTBURBONSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB07882 | 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID | VFIZFTGABDUGCF-UPVHCHBVSA-N | spike glycoprotein |
| -8.9 | 6crv | DB09054 | Idelalisib | IFSDAJWBUCMOAH-HNNXBMFYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB07987 | [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | AWAKNMKLVLWIIQ-OAHLLOKOSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB07175 | N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide | CXQRKICWSCAUGW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB06321 | R-348 | IGLNXKVGKIFNBQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB02046 | N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid | WHPKSASOSKNDPY-PKOBYXMFSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB11650 | HT-0712 | ABEJDMOBAFLQNJ-NHCUHLMSSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB07715 | Emodin | RHMXXJGYXNZAPX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4h | DB08073 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | YWTBGJGMTBHQTM-IBGZPJMESA-N | nsp16 - nsp10 |
| -8.9 | 7bv1 | DB13003 | Cortivazol | RKHQGWMMUURILY-UHRZLXHJSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB03725 | Phosphomethylphosphonic Acid-Guanylate Ester | PHBDHXOBFUBCJD-KQYNXXCUSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB08042 | N-4-methyl-N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | FLXGQDHYCWXTAI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB08745 | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | QLHUDNKWOSQSMK-CXUHLZMHSA-N | PL pro |
| -8.9 | 6m2n | DB00180 | Flunisolide | XSFJVAJPIHIPKU-XWCQMRHXSA-N | 3CL pro |
| -8.9 | 6m3m | DB07940 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | ZUCWQTWGZGIYPV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB13217 | Fentiazac | JIEKMACRVQTPRC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB12996 | Acteoside | FBSKJMQYURKNSU-ZLSOWSIRSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB01938 | L-Histidine Beta Naphthylamide | DKDILZBBFKZMRO-OAHLLOKOSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB00843 | Donepezil | ADEBPBSSDYVVLD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB07856 | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE | HPWBHQIUIBFTQC-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m2n | DB07874 | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | LQOCXPOKEPYGTJ-IBGZPJMESA-N | 3CL pro |
| -8.9 | 7bv1 | DB11263 | Polydatin | HSTZMXCBWJGKHG-CUYWLFDKSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB06581 | Bevirimat | YJEJKUQEXFSVCJ-WRFMNRASSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB08834 | Tauroursodeoxycholic acid | BHTRKEVKTKCXOH-LBSADWJPSA-N | PL pro |
| -8.9 | 6m3m | DB07934 | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | KMUXFASJKPVMGU-HXUWFJFHSA-O | nucleocapsid protein |
| -8.9 | 6m3m | DB07889 | (2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol | VCPXSBULBDYRLT-SFHVURJKSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | 3CL pro |
| -8.9 | 6m3m | DB13177 | 4-methylumbelliferyl beta-D-glucoside | YUDPTGPSBJVHCN-YMILTQATSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB03758 | Radicicol | WYZWZEOGROVVHK-GTMNPGAYSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB08121 | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | TZTPJJNNACUQQR-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m2n | DB00203 | Sildenafil | BNRNXUUZRGQAQC-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m2n | DB07809 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | MBJYEMUMDMGQQC-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w4h | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB13023 | IPI-493 | XYFFWTYOFPSZRM-TWNAANEASA-N | spike glycoprotein |
| -8.9 | 6crv | DB06410 | Doxercalciferol | HKXBNHCUPKIYDM-CGMHZMFXSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | PL pro |
| -8.9 | 6w4h | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB08709 | 2,3-diphenyl-1H-indole-7-carboxylic acid | OLUDUXWVPIEHDA-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m2n | DB04850 | Posizolid | HBUJYEUPIIJJOS-PBHICJAKSA-N | 3CL pro |
| -8.9 | 6m3m | DB13174 | Rhein | FCDLCPWAQCPTKC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w4h | DB08126 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | DMCRNUMVSATRTP-LCYFTJDESA-N | nsp16 - nsp10 |
| -8.9 | 6vxs | DB12725 | TD-8954 | MZOITCJKGUIQEI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m2n | DB07832 | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde | VKQPTVJDZIILPG-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6crv | DB06414 | Etravirine | PYGWGZALEOIKDF-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB13347 | Diphenadione | JYGLAHSAISAEAL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB06597 | Estradiol sulfamate | YXYXCSOJKUAPJI-ZBRFXRBCSA-N | spike glycoprotein |
| -8.9 | 6lzg | DB13552 | Trifluperidol | GPMXUUPHFNMNDH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m3m | DB13487 | Iodine (131I) norcholesterol | QJHZPCLORSPENH-DRTKWHMQSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB07486 | 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline | KLSZVPNVFKKIRD-FNORWQNLSA-N | nsp16 - nsp10 |
| -8.9 | 6vxs | DB12941 | ODM-201 | BLIJXOOIHRSQRB-PXYINDEMSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB13806 | Linopirdine | YEJCDKJIEMIWRQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB07226 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE | JWZVNUNTFNELHL-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6w9c | DB09124 | Medrogestone | HCFSGRMEEXUOSS-JXEXPEPMSA-N | PL pro |
| -8.9 | 6w9c | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | PL pro |
| -8.9 | 6vxs | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB09219 | Bisoxatin | BPKUDUSVDVLOPY-UHFFFAOYSA-N | PL pro |
| -8.9 | 6vxs | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 7bv1 | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w9c | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | PL pro |
| -8.9 | 6w4h | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB09371 | Norethynodrel | ICTXHFFSOAJUMG-SLHNCBLASA-N | PL pro |
| -8.9 | 6crv | DB15265 | USL-311 | XNUNVQKARNSSEO-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB13451 | Tioclomarol | WRGOVNKNTPWHLZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | PL pro |
| -8.9 | 6lzg | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6w9c | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB13360 | Tolciclate | CANCCLAKQQHLNK-LSDHHAIUSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB07830 | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE | DIRIFWIKLRTNMB-DYVFJYSZSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB06608 | Tafenoquine | LBHLFPGPEGDCJG-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB13371 | Difenpiramide | PWHROYKAGRUWDQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB08080 | LATRUNCULIN B | NSHPHXHGRHSMIK-JRIKCGFMSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB13393 | Emetine | AUVVAXYIELKVAI-CKBKHPSWSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6cs2 | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB13418 | Moxestrol | MTMZZIPTQITGCY-OLGWUGKESA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB08962 | Glibornuride | RMTYNAPTNBJHQI-LLDVTBCESA-N | PL pro |
| -8.9 | 6crv | DB06629 | Zibotentan | FJHHZXWJVIEFGJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6vxs | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB08997 | Dexetimide | LQQIVYSCPWCSSD-HSZRJFAPSA-N | PL pro |
| -8.9 | 6m2n | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6crv | DB01965 | 2'-Deoxyuridine 5'-Alpha,Beta-Imido-Triphosphate | XZLLMTSKYYYJLH-SHYZEUOFSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB14902 | JHU-75528 C-11 | MCNQUWLLXZZZAC-BJUDXGSMSA-N | 3CL pro |
| -8.9 | 6w9q | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.9 | 6lxt | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m3m | DB08116 | (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine | DEOZLEGRVHDNKC-UGKGYDQZSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | RUUOIINPNMNPIU-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB12746 | AKN-028 | JLRIJKVMMZEKDF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6lzg | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6crv | DB13739 | Penamecillin | NLOOMWLTUVBWAW-HLLBOEOZSA-N | spike glycoprotein |
| -8.9 | 6crv | DB13752 | Tetramethrin | CXBMCYHAMVGWJQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB07679 | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid | RRAAROKJUVKWAF-RDJZCZTQSA-N | 3CL pro |
| -8.9 | 6w4h | DB11759 | Pevonedistat | MPUQHZXIXSTTDU-QXGSTGNESA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB07685 | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | NMAZGYDYIYLSLJ-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6crv | DB05861 | Tasquinimod | ONDYALNGTUAJDX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB05864 | PPI-2458 | QBDVVYNLLXGUGN-XGTBZJOHSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | nsp16 - nsp10 |
| -8.9 | 6vxs | DB03461 | 2'-Monophosphoadenosine 5'-Diphosphoribose | XJLXINKUBYWONI-NNYOXOHSSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB08350 | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE | GYQRHHQPEMOLKH-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w4h | DB11521 | Imidocarb | SCEVFJUWLLRELN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB08250 | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE | OQMVLDZJPRSNOG-NRFANRHFSA-N | PL pro |
| -8.9 | 6cs2 | DB00878 | Chlorhexidine | GHXZTYHSJHQHIJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB04643 | 4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID | FYQVFMLCZJZZEM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB11778 | Danusertib | XKFTZKGMDDZMJI-HSZRJFAPSA-N | nsp16 - nsp10 |
| -8.9 | 6cs2 | DB12696 | BMS-582949 | GDTQLZHHDRRBEB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB05498 | KW-7158 | NAFSYPCVPLWHFY-HNNXBMFYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w4h | DB11992 | Omarigliptin | MKMPWKUAHLTIBJ-ISTRZQFTSA-N | nsp16 - nsp10 |
| -8.9 | 6vxs | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | spike glycoprotein |
| -8.9 | 6m2n | DB00275 | Olmesartan | VTRAEEWXHOVJFV-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB12672 | Icaritin | TUUXBSASAQJECY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB13070 | Surinabant | HMXDWDSNPRNUKI-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB15021 | Leriglitazone | OXVFDZYQLGRLCD-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w4h | DB11867 | JNJ-39393406 | IURMHZBQEYNQOH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB08138 | {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | BDRDBXXWQDFXEC-UHFFFAOYSA-N | PL pro |
| -8.9 | 6cs2 | DB15170 | Evobrutinib | QUIWHXQETADMGN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w9c | DB08148 | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine | QOZMRRGNAZNWDN-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB08191 | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | KSFDVNIKNYXUIP-UHFFFAOYSA-N | PL pro |
| -8.9 | 6lzg | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m2n | DB07991 | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | APLJSSOXDWUNGV-GOSISDBHSA-N | 3CL pro |
| -8.9 | 6w4h | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB07697 | 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine | HMGDKYUJSFVHIY-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w4h | DB08747 | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | JJTPPGUNMJMPLY-QFIPXVFZSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB08745 | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | QLHUDNKWOSQSMK-CXUHLZMHSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB03583 | (2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One | AYOAIABDFUJDKQ-SQJPUDIVSA-N | ribose phosphatase of NSP3 |
| -8.9 | 7bv1 | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | RUUOIINPNMNPIU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB08520 | (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE | VUCSBBBCFXBFFY-IBGZPJMESA-N | S2 unit |
| -8.9 | 6w4h | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB07993 | N-3-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE | LPQUIIHPUGDHJK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB06335 | Saxagliptin | QGJUIPDUBHWZPV-SGTAVMJGSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB07793 | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | ACSGSLPOHKRZCY-GXTWGEPZSA-N | 3CL pro |
| -8.9 | 6m3m | DB07976 | 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID | GIUMGVUBDBDTDX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB08613 | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL | OFBFUNBBOQCNFX-UHFFFAOYSA-N | PL pro |
| -8.9 | 6vxs | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB07973 | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | GIPCBGDQVGKMPO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB06347 | Cenisertib | KSOVGRCOLZZTPF-QMKUDKLTSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB13008 | 2,2-bis(4-hydroxy-3-tert-butylphenyl)propane | ZDRSNHRWLQQICP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB08510 | 5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE | UVTGFMKBPVLATL-DSOJQRAMSA-N | PL pro |
| -8.9 | 6w4h | DB08770 | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | PWTBZOIUWZOPFT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB08022 | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile | RCYPVQCPYKNSTG-OAHLLOKOSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB06155 | Rimonabant | JZCPYUJPEARBJL-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | nsp16 - nsp10 |
| -8.9 | 6lzg | DB12857 | NVP-LEQ-506 | POERAARDVFVDLO-QGZVFWFLSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 7bv1 | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4h | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 7bv1 | DB14035 | Englitazone | MVDXXGIBARMXSA-PYUWXLGESA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxs | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB00240 | Alclometasone | FJXOGVLKCZQRDN-PHCHRAKRSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB08052 | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | NVRXTLZYXZNATH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB05087 | Ganaxolone | PGTVWKLGGCQMBR-FLBATMFCSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w9c | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | PL pro |
| -8.9 | 6cs2 | DB12796 | MRX-I | SULYVXZZUMRQAX-NSHDSACASA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB02059 | Adenosine-5-Diphosphoribose | SRNWOUGRCWSEMX-ZQSHOCFMSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB12929 | JNJ-39220675 | IQOWHZHNGJXGHG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB08026 | 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide | AJLILYAPRHIFAS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6lzg | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6w4h | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6lxt | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | S2 unit |
| -8.9 | 7bv1 | DB12744 | CGI-1842 | ZXBFYBLSJMEBEP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB07102 | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | BYSBXIPCDJNEBG-INIZCTEOSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB08340 | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE | LLYYAUZAGCZEKV-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB14636 | Triciribine phosphate | URLYINUFLXOMHP-HTVVRFAVSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB04792 | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | CDEVHSIVANGYRI-XMTFNYHQSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB01198 | Zopiclone | GBBSUAFBMRNDJC-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB00367 | Levonorgestrel | WWYNJERNGUHSAO-XUDSTZEESA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07519 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | VDFBMQAUECXNKR-OAQYLSRUSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB08360 | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | BIFHJPUTQBOBGJ-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w9c | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | PL pro |
| -8.9 | 6cs2 | DB13094 | Pruvanserin | AQRLDDAFYYAIJP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB04194 | Chitotriose | WZZVUHWLNMNWLW-VFCSDQTKSA-N | 3CL pro |
| -8.9 | 6w4h | DB03461 | 2'-Monophosphoadenosine 5'-Diphosphoribose | XJLXINKUBYWONI-NNYOXOHSSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB03351 | Sri-9439 | KMSATRJZEXNGDP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6lzg | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6w9c | DB12720 | Nivocasan | VYFGDLGHHBUDTQ-ZLGUVYLKSA-N | PL pro |
| -8.9 | 6w4h | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB04244 | (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide | YCDHZDINQZLSRR-DNQXCXABSA-N | 3CL pro |
| -8.9 | 6w4h | DB03893 | Thionicotinamide-Adenine-Dinucleotide | UQYPZLRUJKCREN-NNYOXOHSSA-N | nsp16 - nsp10 |
| -8.9 | 7bv1 | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w9q | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | nsp9 RNA-replicase |
| -8.9 | 6crv | DB07061 | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL | AXYFCRIRLKSCRR-SFHVURJKSA-N | spike glycoprotein |
| -8.9 | 6crv | DB13865 | Dehydroemetine | XXLZPUYGHQWHRN-RPBOFIJWSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB12391 | Sagopilone | BFZKMNSQCNVFGM-UCEYFQQTSA-N | PL pro |
| -8.9 | 6crv | DB12808 | Trifarotene | MFBCDACCJCDGBA-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB13930 | Ulixertinib | KSERXGMCDHOLSS-LJQANCHMSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w4h | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6lzg | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6lxt | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m2n | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | 3CL pro |
| -8.9 | 6lzg | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m3m | DB14575 | Eslicarbazepine | BMPDWHIDQYTSHX-AWEZNQCLSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB12434 | Steviolbioside | OMHUCGDTACNQEX-OSHKXICASA-N | PL pro |
| -8.9 | 6crv | DB01561 | Androstanedione | RAJWOBJTTGJROA-WZNAKSSCSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB14596 | Loteprednol etabonate | DMKSVUSAATWOCU-HROMYWEYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB07144 | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | XZXVRKHUCSXVBM-AWEZNQCLSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB07548 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE | JXHWVKOKYDAROD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | S2 unit |
| -8.9 | 7bv1 | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB14802 | ONO-2952 | ZBQMTQGDBFZUBG-NRFANRHFSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | ribose phosphatase of NSP3 |
| -8.9 | 7bv1 | DB06732 | beta-Naphthoflavone | OUGIDAPQYNCXRA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB12774 | AZD-8055 | KVLFRAWTRWDEDF-IRXDYDNUSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB00394 | Beclomethasone dipropionate | KUVIULQEHSCUHY-XYWKZLDCSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB03447 | Uridylyl-2'-5'-Phospho-Adenosine | QARCCHXXGAIRFS-KPKSGTNCSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB14845 | Filgotinib | RIJLVEAXPNLDTC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB08444 | 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile | YYGZQXRLQMFHDH-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6crv | DB07226 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE | JWZVNUNTFNELHL-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB01459 | Bezitramide | FLKWNFFCSSJANB-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB02300 | Calcipotriol | LWQQLNNNIPYSNX-UROSTWAQSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB13952 | Estradiol acetate | FHXBMXJMKMWVRG-SLHNCBLASA-N | spike glycoprotein |
| -8.9 | 6w4h | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | nsp16 - nsp10 |
| -8.9 | 6crv | DB01455 | 19-Nor-5-androstenediol | VVUQRXPUVKXAIO-XFUVECHXSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB02698 | N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid | NQOOJFXBGLOGTC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6lxt | DB08867 | Ulipristal | HKDLNTKNLJPAIY-WKWWZUSTSA-N | S2 unit |
| -8.9 | 6m2n | DB08402 | 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | VNDRRWBKNSHALL-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxs | DB07786 | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | SMFRBBHLVBWHGB-DJJJIMSYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6lxt | DB15282 | Fluorofuranylnorprogesterone F-18 | VJKRBRUNEOHPBS-JQKUZGBFSA-N | S2 unit |
| -8.9 | 6crv | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w9c | DB12888 | Ezutromid | KSGCNXAZROJSNW-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | PL pro |
| -8.9 | 6lxt | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6crv | DB01521 | Clostebol | KCZCIYZKSLLNNH-FBPKJDBXSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB07019 | N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1-7,11-]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE | QWDOKZPZLWNULU-MZNJEOGPSA-N | S2 unit |
| -8.9 | 6m3m | DB14717 | Nitrazolam | OYRPNABWTHDOFK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB14723 | Larotrectinib | NYNZQNWKBKUAII-KBXCAEBGSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB01485 | 4-Hydroxytestosterone | BQOIJSIMMIDHMO-FBPKJDBXSA-N | spike glycoprotein |
| -8.9 | 6lzg | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m3m | DB14769 | Pamiparib | DENYZIUJOTUUNY-MRXNPFEDSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07447 | 5beta-dihydrotestosterone | NVKAWKQGWWIWPM-MISPCMORSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB01530 | 5alpha-androstane-3alpha,17beta-diol | CBMYJHIOYJEBSB-KHOSGYARSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB07993 | N-3-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE | LPQUIIHPUGDHJK-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB12322 | GW-870086 | WUBKGTSFJSEIEM-NSHBDUGJSA-N | PL pro |
| -8.9 | 6w9c | DB12302 | CP-724714 | LLVZBTWPGQVVLW-SNAWJCMRSA-N | PL pro |
| -8.9 | 7bv1 | DB06985 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | MEAQCLPMSVEOQF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4h | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB07729 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | GAKOBKPDJJGRIL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07724 | Indeglitazar | YMPALHOKRBVHOJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB12933 | RO-4987655 | FIMYFEGKMOCQKT-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB12724 | AZD-7295 | MAQDQJWCSSCURR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | S2 unit |
| -8.9 | 6vxs | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB11730 | Ribociclib | RHXHGRAEPCAFML-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB13790 | Fipexide | BFUJHVVEMMWLHC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB08064 | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | NTMADESEDXKNFZ-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB13797 | Iodocholesterol (131I) | FIOAEFCJGZJUPW-ODFYUTSGSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | PL pro |
| -8.9 | 6m3m | DB07706 | 2-Hydrox1tradiol | DILDHNKDVHLEQB-XSSYPUMDSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB12921 | Chlorsulfaquinoxaline | CTSNHMQGVWXIEG-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | PL pro |
| -8.9 | 6m3m | DB13788 | Chlorbenzoxamine | VEVSKUJZSMGTMM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07741 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE | VPNYXOTTXAXSIH-SXYSDOLCSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB13728 | Halometasone | GGXMRPUKBWXVHE-MIHLVHIWSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB11682 | Daprodustat | RUEYEZADQJCKGV-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB07809 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | MBJYEMUMDMGQQC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB07186 | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE | TYYNSDQVFIOSFH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB07806 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | UDMBRVGTYILYDX-SVFBPWRDSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07795 | Fisetin | XHEFDIBZLJXQHF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB06809 | Plerixafor | YIQPUIGJQJDJOS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07787 | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE | PNPFDRCIGCUCMN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB01058 | Praziquantel | FSVJFNAIGNNGKK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB08026 | 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide | AJLILYAPRHIFAS-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w4h | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6cs2 | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w9c | DB11512 | Dihydrostreptomycin | ASXBYYWOLISCLQ-HZYVHMACSA-N | PL pro |
| -8.9 | 6w9c | DB11522 | Isoflupredone | WAIJIHDWAKJCBX-BULBTXNYSA-N | PL pro |
| -8.9 | 6w9c | DB11529 | Melengestrol | OKHAOBQKCCIRLO-IBVJIVQJSA-N | PL pro |
| -8.9 | 6cs2 | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w4h | DB06977 | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine | CAASENZOSQYNPX-HSTJUUNISA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB11787 | Ralimetinib | XPPBBJCBDOEXDN-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB14210 | Moexiprilat | CMPAGYDKASJORH-YSSFQJQWSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | S2 unit |
| -8.9 | 6w4h | DB06684 | Vilazodone | SGEGOXDYSFKCPT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB05511 | Piclidenoson | HUJXGQILHAUCCV-MOROJQBDSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB07628 | 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one | IEWYEWDDQWYJLU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB06986 | 2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | LRHOLHTVXXSIMG-BXUZGUMPSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB12124 | Namitecan | IBTISPLPBBHVSU-UVOOVGFISA-N | PL pro |
| -8.9 | 6w4h | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB08174 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE | QCPYHSAHOYXXQK-DLBZAZTESA-N | 3CL pro |
| -8.9 | 6w9c | DB12219 | GSK-424887 | DRXBWLBZWAJIEF-IBGZPJMESA-N | PL pro |
| -8.9 | 6m3m | DB07642 | 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | GYKIQIOWVKCVBP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07584 | N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | OKGCSZUKOGMZAL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB12234 | BMS-214662 | OLCWFLWEHWLBTO-HSZRJFAPSA-N | PL pro |
| -8.9 | 6w4h | DB04716 | 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE | VNDWQCSOSCCWIP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB07568 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE | ADRNPUSZBRQDBG-KRWDZBQOSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB15393 | Telatinib | QFCXANHHBCGMAS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB14093 | (1,2,6,7-3H)Testosterone | MUMGGOZAMZWBJJ-JQSYSRDDSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB14125 | Benazeprilat | MADRIHWFJGRSBP-ROUUACIJSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB14207 | Fosinoprilat | WOIWWYDXDVSWAZ-RTWAWAEBSA-N | nucleocapsid protein |
| -8.9 | 6lzg | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m3m | DB13936 | JNJ-28330835 | RYBKPGYFXRNMMU-LBPRGKRZSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB12070 | Letermovir | FWYSMLBETOMXAG-QHCPKHFHSA-N | PL pro |
| -8.9 | 6w4h | DB06268 | Sitaxentan | PHWXUGHIIBDVKD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB01708 | Prasterone | FMGSKLZLMKYGDP-USOAJAOKSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB08094 | (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE | JRNJNYBQQYBCLE-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6crv | DB06918 | 2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE | ZRYXDGAKQGRHFG-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB11878 | Filibuvir | SLVAPEZTBDBAPI-GDLZYMKVSA-N | PL pro |
| -8.9 | 6crv | DB06921 | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID | FNZHLCNFXRRIIC-RBUKOAKNSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB11893 | Avagacestat | XEAOPVUAMONVLA-QGZVFWFLSA-N | PL pro |
| -8.9 | 6w4h | DB06519 | Edaglitazone | HAAXAFNSRADSMK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB07655 | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE | MPJYGQHMIFDQIN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m2n | DB14810 | AZD-1656 | FJEJHJINOKKDCW-INIZCTEOSA-N | 3CL pro |
| -8.9 | 6w4h | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB06932 | 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine | NVINUNQBDNEMSY-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB15356 | SLV-334 | LOFDNSDPZTVIIO-VPUSJEBWSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxs | DB13454 | Nicomorphine | HNDXBGYRMHRUFN-CIVUWBIHSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB01720 | (2z)-2-(Benzoylamino)-3-[4-(2-Bromophenoxy)Phenyl]-2-Propenoic Acid | WLPJLQNKCJWAFL-RGEXLXHISA-N | spike glycoprotein |
| -8.9 | 6m2n | DB07588 | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID | FZDVNXHYGMEEDT-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6crv | DB02300 | Calcipotriol | LWQQLNNNIPYSNX-UROSTWAQSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB07976 | 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID | GIUMGVUBDBDTDX-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB11784 | NRX-1074 | DVBUEXCIEIAXPM-PJUQSVSOSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB04140 | 1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide | SUSMVCKSLVPRCL-QGZVFWFLSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB01328 | Cefonicid | DYAIAHUQIPBDIP-AXAPSJFSSA-N | PL pro |
| -8.9 | 6m3m | DB04432 | ZK-805623 | ZXIHYCYAQUQHSG-UHFFFAOYSA-O | nucleocapsid protein |
| -8.9 | 6w9c | DB01147 | Cloxacillin | LQOLIRLGBULYKD-JKIFEVAISA-N | PL pro |
| -8.9 | 6m2n | DB06237 | Avanafil | WEAJZXNPAWBCOA-INIZCTEOSA-N | 3CL pro |
| -8.9 | 6m3m | DB11827 | Ertugliflozin | MCIACXAZCBVDEE-CUUWFGFTSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB01392 | Yohimbine | BLGXFZZNTVWLAY-SCYLSFHTSA-N | PL pro |
| -8.9 | 6m3m | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB01026 | Ketoconazole | XMAYWYJOQHXEEK-UHFFFAOYSA-N | PL pro |
| -8.9 | 6vxs | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB11864 | Preladenant | DTYWJKSSUANMHD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB08747 | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | JJTPPGUNMJMPLY-QFIPXVFZSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB00959 | Methylprednisolone | VHRSUDSXCMQTMA-PJHHCJLFSA-N | PL pro |
| -8.9 | 6crv | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB11841 | Entinostat | INVTYAOGFAGBOE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB15208 | NOP-1A | MZBCQWLYUQJXKA-KRWDZBQOSA-N | 3CL pro |
| -8.9 | 6m3m | DB04424 | RPR128515 | XFKVLKLCLYJKNF-MZNJEOGPSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB01406 | Danazol | POZRVZJJTULAOH-LHZXLZLDSA-N | PL pro |
| -8.9 | 6crv | DB03882 | 5-Alpha-Androstane-3-Beta,17beta-Diol | CBMYJHIOYJEBSB-YSZCXEEOSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB04886 | Calanolide A | NIDRYBLTWYFCFV-FMTVUPSXSA-N | PL pro |
| -8.9 | 6w9c | DB01732 | (4r,5s,6s,7r)-1,3-Dibenzyl-4,7-Bis(Phenoxymethyl)-5,6-Dihydroxy-1,3 Diazepan-2-One | SQBOSZXDOHQFAA-ZRTHHSRSSA-N | PL pro |
| -8.9 | 6crv | DB15138 | AZD-9496 | DFBDRVGWBHBJNR-BBNFHIFMSA-N | spike glycoprotein |
| -8.9 | 6lzg | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m2n | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | 3CL pro |
| -8.9 | 6cs2 | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB07019 | N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1-7,11-]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE | QWDOKZPZLWNULU-MZNJEOGPSA-N | 3CL pro |
| -8.9 | 6w9c | DB05171 | E-2012 | PUOAETJYKQITMO-LANLRWRYSA-N | PL pro |
| -8.9 | 7bv1 | DB08560 | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE | GULUFDCOGAXLEP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxs | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m2n | DB15227 | Tirabrutinib | SEJLPXCPMNSRAM-GOSISDBHSA-N | 3CL pro |
| -8.9 | 6vxs | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB05327 | Ranirestat | QCVNMNYRNIMDKV-QGZVFWFLSA-N | PL pro |
| -8.9 | 6m3m | DB11749 | (R)-Praziquantel | FSVJFNAIGNNGKK-KRWDZBQOSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB04023 | Guanosine 5'-(Trihydrogen Diphosphate), P'-D-Mannopyranosyl Ester | DNBSDUDYNPJVCN-ZXTXFPBHSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w9c | DB06581 | Bevirimat | YJEJKUQEXFSVCJ-WRFMNRASSA-N | PL pro |
| -8.9 | 6m3m | DB11665 | BMS-690514 | CSGQVNMSRKWUSH-IAGOWNOFSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB02880 | N-[1-(4-Bromophenyl)Ethyl]-5-Fluoro Salicylamide | KFTNEILVDDUXGR-SECBINFHSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB11886 | Infigratinib | QADPYRIHXKWUSV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB06977 | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine | CAASENZOSQYNPX-HSTJUUNISA-N | PL pro |
| -8.9 | 6m3m | DB11958 | Brivanib | WCWUXEGQKLTGDX-LLVKDONJSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | PL pro |
| -8.9 | 6m3m | DB11964 | Ilaprazole | HRRXCXABAPSOCP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB15448 | Acumapimod | VGUSQKZDZHAAEE-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w9c | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB04480 | 3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole | NBDZLUOYAAVYHF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB00496 | Darifenacin | HXGBXQDTNZMWGS-RUZDIDTESA-N | 3CL pro |
| -8.9 | 6w9c | DB07043 | 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide | CKLCIJCZOIDJQU-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m2n | DB00485 | Dicloxacillin | YFAGHNZHGGCZAX-JKIFEVAISA-N | 3CL pro |
| -8.9 | 6vxs | DB08619 | Testosterone succinate | CJQNBXFUHQZFOE-VYAQIDIUSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6vxs | DB08607 | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | GXPHKUHSUJUWKP-NTKDMRAZSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6lxt | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m2n | DB00482 | Celecoxib | RZEKVGVHFLEQIL-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6cs2 | DB11921 | Deflazacort | FBHSPRKOSMHSIF-GRMWVWQJSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB08591 | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | IGXKSKWHHHYBFM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB00377 | Palonosetron | CPZBLNMUGSZIPR-NVXWUHKLSA-N | PL pro |
| -8.9 | 6cs2 | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lxt | DB08204 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE | FLWABCQDXUKNQY-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6cs2 | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB07162 | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide | KFJCXIOVAGJCKB-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w9c | DB00728 | Rocuronium | YXRDKMPIGHSVRX-OOJCLDBCSA-N | PL pro |
| -8.9 | 6cs2 | DB11978 | Glasdegib | SFNSLLSYNZWZQG-VQIMIIECSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB04226 | Dihydro-Acarbose | CUAQESWNTOXZJZ-RTNAABQMSA-N | spike glycoprotein |
| -8.9 | 6lzg | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6w9c | DB00699 | Nicergoline | YSEXMKHXIOCEJA-FVFQAYNVSA-N | PL pro |
| -8.9 | 6m3m | DB08705 | 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE | SVSYJTYGPLVUOZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB06777 | Chenodeoxycholic acid | RUDATBOHQWOJDD-BSWAIDMHSA-N | PL pro |
| -8.9 | 6vxs | DB08746 | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | ZOSSOFIFNGGDKG-GIJQJNRQSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6vxs | DB08745 | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | QLHUDNKWOSQSMK-CXUHLZMHSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB00670 | Pirenzepine | RMHMFHUVIITRHF-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB06879 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE | QCFIRACCCDFXIP-UHFFFAOYSA-N | PL pro |
| -8.9 | 6crv | DB04263 | Geneticin | BRZYSWJRSDMWLG-DJWUNRQOSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB04098 | Balanol | XYUFCXJZFZPEJD-PGRDOPGGSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB15173 | JNJ-42165279 | YWGYNGCRVZLMCS-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w9c | DB00607 | Nafcillin | GPXLMGHLHQJAGZ-JTDSTZFVSA-N | PL pro |
| -8.9 | 6w9c | DB00596 | Ulobetasol | LEHFPXVYPMWYQD-XHIJKXOTSA-N | PL pro |
| -8.9 | 6w9c | DB00838 | Clocortolone | YMTMADLUXIRMGX-RFPWEZLHSA-N | PL pro |
| -8.9 | 6m3m | DB04073 | N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(beta-D-galactopyranosyloxy)-5-nitrobenzamide | UEIGEWJJVQHIAX-DLBZZEGUSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB08927 | Amperozide | NNAIYOXJNVGUOM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB15241 | Methylsamidorphan | ATCVVCBJNHXIEX-ZAHKBLQYSA-O | 3CL pro |
| -8.9 | 6m3m | DB09166 | Etizolam | VMZUTJCNQWMAGF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB15281 | Ravoxertinib | RZUOCXOYPYGSKL-GOSISDBHSA-N | 3CL pro |
| -8.9 | 6vxs | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB04270 | (S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid | WUZIMDSVRIBNNI-DEOSSOPVSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6w9c | DB03084 | Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | XCTKFTOEAKJMII-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | PL pro |
| -8.9 | 6w9c | DB03351 | Sri-9439 | KMSATRJZEXNGDP-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m2n | DB00700 | Eplerenone | JUKPWJGBANNWMW-VWBFHTRKSA-N | 3CL pro |
| -8.9 | 6crv | DB13397 | Prenoxdiazine | PXZDWASDNFWKSD-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB04107 | [(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester | RNOYCNIZOAIUSV-LSWMGQQCSA-N | PL pro |
| -8.9 | 6lzg | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6w9c | DB02859 | Soraphen A | WPMGNXPRKGXGBO-OFQQMTDKSA-N | PL pro |
| -8.9 | 6m3m | DB11259 | Diosmetin | MBNGWHIJMBWFHU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB06886 | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL | MACLRJNEKXUAJK-YDLSIGKMSA-N | 3CL pro |
| -8.9 | 6w9c | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | PL pro |
| -8.9 | 6vxs | DB11424 | Lufenuron | PWPJGUXAGUPAHP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB03916 | 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine | RHOOHUMOHVIXEF-UHFFFAOYSA-N | PL pro |
| -8.9 | 6cs2 | DB12214 | Luseogliflozin | WHSOLWOTCHFFBK-ZQGJOIPISA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB03596 | N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide | FSRPBGBMEKDSIJ-CYBMUJFWSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB03768 | N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3 | WRUVOSYKHXGAQN-GKRYNVPLSA-N | PL pro |
| -8.9 | 6cs2 | DB14821 | Macozinone | BJDZBXGJNBMCAV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w9c | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | PL pro |
| -8.9 | 6w9q | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | nsp9 RNA-replicase |
| -8.9 | 6m2n | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | 3CL pro |
| -8.9 | 6w9q | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | nsp9 RNA-replicase |
| -8.9 | 6crv | DB03572 | FR230513 | URGFTPMACWKJKU-OAHLLOKOSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m2n | DB06781 | Difluprednate | WYQPLTPSGFELIB-JTQPXKBDSA-N | 3CL pro |
| -8.9 | 6w9c | DB03496 | Alvocidib | BIIVYFLTOXDAOV-YVEFUNNKSA-N | PL pro |
| -8.9 | 6m3m | DB09171 | ??-Methylfentanyl | UXIGUKSHASXDNI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB09238 | Manidipine | ANEBWFXPVPTEET-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | ACE2 area for S-protein binding |
| -8.9 | 6lzg | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6w9c | DB03907 | N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-Benzamide | UHHBFOLQOQSPLU-WGRQDFERSA-N | PL pro |
| -8.9 | 6w9c | DB03461 | 2'-Monophosphoadenosine 5'-Diphosphoribose | XJLXINKUBYWONI-NNYOXOHSSA-N | PL pro |
| -8.9 | 6vxs | DB11263 | Polydatin | HSTZMXCBWJGKHG-CUYWLFDKSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB11366 | Roquinimex | SGOOQMRIPALTEL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB03157 | N,O-Didansyl-L-Tyrosine | LUBOPDUYHWABFG-NDEPHWFRSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB02659 | Cholic Acid | BHQCQFFYRZLCQQ-OELDTZBJSA-N | PL pro |
| -8.9 | 6lxt | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | S2 unit |
| -8.9 | 6m2n | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | 3CL pro |
| -8.9 | 6w9c | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | PL pro |
| -8.9 | 6vxs | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB02154 | 2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid | FFYBYVPVYLMLAR-KBPBESRZSA-N | PL pro |
| -8.9 | 6m3m | DB11551 | Trenbolone | MEHHPFQKXOUFFV-OWSLCNJRSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB11591 | Bilastine | ACCMWZWAEFYUGZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB03791 | (3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid | NAXSRXHZFIBFMI-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB08976 | Floctafenine | APQPGQGAWABJLN-GFCCVEGCSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB08950 | Indoramin | JXZZEXZZKAWDSP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB06410 | Doxercalciferol | HKXBNHCUPKIYDM-CGMHZMFXSA-N | 3CL pro |
| -8.9 | 6cs2 | DB12332 | Rucaparib | HMABYWSNWIZPAG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB11638 | Artenimol | BJDCWCLMFKKGEE-HVDUHBCDSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB06993 | (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine | PTAHVQJZNFGPHN-WFWWEWPISA-N | 3CL pro |
| -8.9 | 6crv | DB03844 | N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide | ZFNCKGXGCCDDFN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB06429 | Talnetant | BIAVGWDGIJKWRM-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m2n | DB06945 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide | FOSWRYKPHVPIDJ-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB09008 | Cefaloridine | CZTQZXZIADLWOZ-CRAIPNDOSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB03742 | Compound 4-D | TWZNCTCQAGRUGQ-RRPNLBNLSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB11393 | Danofloxacin | QMLVECGLEOSESV-RYUDHWBXSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB11423 | Lasalocid | BBMULGJBVDDDNI-OWKLGTHSSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | PL pro |
| -8.9 | 6m2n | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6lxt | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | S2 unit |
| -8.9 | 6w9c | DB02545 | Fexaramine | VLQTUNDJHLEFEQ-KGENOOAVSA-N | PL pro |
| -8.9 | 6crv | DB03337 | 1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea | ZHCAYBOLUMAUQX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB04373 | 4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | WQUBEIMCFHCJCO-AWCRTANDSA-N | PL pro |
| -8.9 | 6w9c | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | PL pro |
| -8.9 | 6m3m | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB06525 | Ganstigmine | ZOBDWFRKFSPCRB-UNMCSNQZSA-N | 3CL pro |
| -8.9 | 6w9c | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | PL pro |
| -8.9 | 6w9c | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB09015 | Canrenoic acid | PBKZPPIHUVSDNM-WNHSNXHDSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB13386 | Epimestrol | UHQGCIIQUZBJAE-RRQVMCLOSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB12307 | Foretinib | CXQHYVUVSFXTMY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB03272 | 4-Bromo-3-(5'-Carboxy-4'-Chloro-2'-Fluorophenyl)-1-Methyl-5-Trifluoromethyl-Pyrazol | YNMHKERYELPEEF-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB04216 | Quercetin | REFJWTPEDVJJIY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB01452 | Diamorphine | GVGLGOZIDCSQPN-PVHGPHFFSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | S2 unit |
| -8.9 | 7bv1 | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6wiq | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | nsp7-nsp8 |
| -8.9 | 6cs2 | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB08352 | 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine | FQYJTHIYAQQJAB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w9c | DB07765 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | UKCFUFHREWUXJJ-UHFFFAOYSA-N | PL pro |
| -8.9 | 7bv1 | DB14937 | MK-8666 | CODQKEMYZZKQAE-QPVYNBJUSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4h | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m3m | DB12391 | Sagopilone | BFZKMNSQCNVFGM-UCEYFQQTSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6w4h | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6cs2 | DB15121 | AT-001 | YRGPAXAVTDMKDK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6cs2 | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB05048 | Cannabinor | GSTZHANFXAKPSE-MXTREEOPSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB07507 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione | ROMNEYAQUBNRLR-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w4h | DB12507 | Atecegatran metoxil | XSNMGLZVFNDDPW-ZWKOTPCHSA-N | nsp16 - nsp10 |
| -8.9 | 7bv1 | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lzg | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 7bv1 | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB08361 | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide | NZNTWOVDIXCHHS-LSDHHAIUSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB08393 | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL | UQHINZSKNAAVOZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6crv | DB04850 | Posizolid | HBUJYEUPIIJJOS-PBHICJAKSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB02008 | 1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine | JHSHXKJSPVHPCJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB08379 | 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one | NOVPOXGMADEKPP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB12295 | Evodenoson | SQJXTUJMBYVDBB-RQXXJAGISA-N | nucleocapsid protein |
| -8.9 | 6lzg | DB11891 | CUDC-907 | JOWXJLIFIIOYMS-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6lxt | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6w4h | DB13101 | 4SC-202 | PRXXYMVLYKJITB-IZZDOVSWSA-N | nsp16 - nsp10 |
| -8.9 | 6vxs | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB04867 | Lintitript | ILNRQFBVVQUOLP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB13667 | Cefozopran | QDUIJCOKQCCXQY-WHJQOFBOSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB07686 | 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | VPOGRVWIIVMWRI-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w4h | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6lxt | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m3m | DB04005 | Uridine 5'-triphosphate | PGAVKCOVUIYSFO-XVFCMESISA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB00354 | Buclizine | MOYGZHXDRJNJEP-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w4h | DB12483 | Copanlisib | PZBCKZWLPGJMAO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB07607 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | RXDZANYWRNIAOR-HHHXNRCGSA-N | PL pro |
| -8.9 | 6m3m | DB03926 | 5-Alpha-Androstane-3-Beta,17-Alpha-Diol | CBMYJHIOYJEBSB-MFXFBURESA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB15214 | BMS-986104 | BPMMYKAHRIEVDH-VOQZNFBZSA-N | spike glycoprotein |
| -8.9 | 6crv | DB05316 | Pimavanserin | RKEWSXXUOLRFBX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB12579 | JNJ-37822681 | UVUYWJWYRLJHEN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6cs2 | DB11616 | Pirarubicin | KMSKQZKKOZQFFG-YXRRJAAWSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w9c | DB07879 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide | SMSIXMLQOONOQQ-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB07891 | 4-{[(14beta,17alpha)-3-hydrox1tra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | YJPIDPAGJSWWBE-FNIAAEIWSA-N | PL pro |
| -8.9 | 6vxs | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m2n | DB00977 | Ethinylestradiol | BFPYWIDHMRZLRN-SLHNCBLASA-N | 3CL pro |
| -8.9 | 6w9c | DB07940 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | ZUCWQTWGZGIYPV-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w4h | DB12101 | CC-220 | IXZOHGPZAQLIBH-NRFANRHFSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB05422 | OPC-14523 | TZZGTNZBLPCBIS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB07969 | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | QNCYYRHIUFGGJX-UHFFFAOYSA-N | PL pro |
| -8.9 | 6vxs | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB07971 | 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE | FQQVTDIBUYSVHM-UHFFFAOYSA-N | PL pro |
| -8.9 | 7bv1 | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB12557 | FK-614 | UYGZODVVDUIDDQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB00897 | Triazolam | JOFWLTCLBGQGBO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB05105 | Pleconaril | KQOXLKOJHVFTRN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB04578 | (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | OEVYDSSAPNIURZ-AEFFLSMTSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lxt | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6w4h | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB00303 | Ertapenem | JUZNIMUFDBIJCM-ANEDZVCMSA-N | 3CL pro |
| -8.9 | 6vxs | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6lxt | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | S2 unit |
| -8.9 | 7bv1 | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4h | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB00301 | Flucloxacillin | UIOFUWFRIANQPC-JKIFEVAISA-N | 3CL pro |
| -8.9 | 6lzg | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m3m | DB08308 | SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER | IRQUJNVGEAJGSD-KIEDKLRZSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB12341 | LY-2456302 | ZHPMYDSXGRRERG-DEOSSOPVSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB12290 | Puerarin | HKEAFJYKMMKDOR-VPRICQMDSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB07544 | N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE | ZLQBZYKAQQWOTK-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 7bv1 | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w9c | DB00137 | Lutein | KBPHJBAIARWVSC-RGZFRNHPSA-N | PL pro |
| -8.9 | 6cs2 | DB11764 | Spebrutinib | KXBDTLQSDKGAEB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 7bv1 | DB00901 | Bitolterol | FZGVEKPRDOIXJY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB13596 | Oxycinchophen | XAPRFLSJBSXESP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB08534 | 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | ZAIYYXVHGBMLEC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB02656 | LY-294002 | CZQHHVNHHHRRDU-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB15046 | LY-2881835 | FHRWHNJJQGSCQC-LJAQVGFWSA-N | nsp16 - nsp10 |
| -8.9 | 6cs2 | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lzg | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6cs2 | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB02640 | Fumagillin | NGGMYCMLYOUNGM-CSDLUJIJSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB08513 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | PAIQRYUOBBCBSE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB04042 | 2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol | XLJNZONSWKENRP-VABIIVNOSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB07263 | [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | WDTMVBQZDFMOIK-GOSISDBHSA-N | 3CL pro |
| -8.9 | 6m3m | DB08531 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CVYWYUAQFJMLEO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB04596 | 4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-??-D-mannopyranosyl}-D-glucopyranuronic acid | GZJXZKGVHLWBOW-AISSFXTFSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB11871 | PF-00610355 | YPHDIMUXXABSSO-YTTGMZPUSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB02715 | Compound 18 | UZOOIPXOYYJULJ-RHLLTPQKSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB08577 | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE | JNDVEAXZWJIOKB-JYRVWZFOSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB07140 | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | JPENSYBRTSIYGO-AWEZNQCLSA-N | PL pro |
| -8.9 | 6w4h | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6lzg | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6w9c | DB07159 | Tamatinib | NHHQJBCNYHBUSI-UHFFFAOYSA-N | PL pro |
| -8.9 | 6cs2 | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB08543 | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE | BZJHCQBNFUNZPJ-QFIPXVFZSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB13212 | Phenolsulfonphthalein | BELBBZDIHDAJOR-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB15268 | Afabicin | HFYMDQMXVPJNTH-VQHVLOKHSA-N | nsp16 - nsp10 |
| -8.9 | 6w4h | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6vxs | DB02917 | N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide | LFGYSFPVLMPUPE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB04573 | Estriol | PROQIPRRNZUXQM-ZXXIGWHRSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB12058 | Recoflavone | BCPQOBQIVJZOFL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | PL pro |
| -8.9 | 6w4h | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6cs2 | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 7bv1 | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4h | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB15120 | GSK-239512 | YFRBKEVUUCQYOW-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w9c | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | PL pro |
| -8.9 | 6lzg | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m2n | DB00950 | Fexofenadine | RWTNPBWLLIMQHL-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m2n | DB07337 | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | SOKOHDQTKSROQZ-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 7bv1 | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB00158 | Folic acid | OVBPIULPVIDEAO-LBPRGKRZSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB05414 | Pipendoxifene | JICOGKJOQXTAIP-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB12234 | BMS-214662 | OLCWFLWEHWLBTO-HSZRJFAPSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB00402 | Eszopiclone | GBBSUAFBMRNDJC-INIZCTEOSA-N | 3CL pro |
| -8.9 | 6crv | DB04771 | 1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE | FIZYZWLGMGGGBJ-OALUTQOASA-N | spike glycoprotein |
| -8.9 | 6lxt | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6crv | DB04772 | 1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE | DSVCYWOHJLRGMK-PMACEKPBSA-N | spike glycoprotein |
| -8.9 | 6lzg | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m3m | DB08429 | N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | QRGBOABBMKYMLG-UXHICEINSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB04790 | 2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol | IBIUTOFGXGGVKQ-XMTFNYHQSA-N | spike glycoprotein |
| -8.9 | 6crv | DB04791 | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | DKBAWRNTUZFJKV-BSDSXHPESA-N | spike glycoprotein |
| -8.9 | 6lzg | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6lzg | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m2n | DB07323 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | CTZLIARLNXSXGL-ALCCZGGFSA-N | 3CL pro |
| -8.9 | 6cs2 | DB11800 | Tivozanib | SPMVMDHWKHCIDT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lzg | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6cs2 | DB15056 | Bifenthrin | OMFRMAHOUUJSGP-IRHGGOMRSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB04040 | N-(2-Morpholin-4-Yl-1-Morpholin-4-Ylmethyl-Ethyl)-3-Nitro-5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yloxy)-Benzamide | MCMWCTMAKPQTPI-WGNYYXNJSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB07340 | N-6-cyclohexyl-N-2-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | ZFLJHSQHILSNCM-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB08491 | N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE | ARIRIZBKMKMEBD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB11829 | Ruboxistaurin | ZCBUQCWBWNUWSU-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m2n | DB05511 | Piclidenoson | HUJXGQILHAUCCV-MOROJQBDSA-N | 3CL pro |
| -8.9 | 6w9c | DB07359 | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide | SJTQKYKXCYVFHX-UHFFFAOYSA-N | PL pro |
| -8.9 | 6crv | DB04669 | TRIAZOLOPYRIMIDINE | YWBFPKPWMSWWEA-UHFFFAOYSA-O | spike glycoprotein |
| -8.9 | 6cs2 | DB15065 | PF-06291874 | IBDYYOQKQCCSDP-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB04705 | (3BETA)-CHOLEST-5-ENE-3,25-DIOL | INBGSXNNRGWLJU-ZHHJOTBYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB12193 | Ajulemic acid | YCHYFHOSGQABSW-RTBURBONSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB07393 | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE | GSKNNHAAFLPYHG-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB07406 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE | QWFFPYQWUWLDBV-NSHDSACASA-N | PL pro |
| -8.9 | 6w4h | DB14034 | Darglitazone | QQKNSPHAFATFNQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6m2n | DB05424 | Canertinib | OMZCMEYTWSXEPZ-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxs | DB08494 | S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate | AWAKIULNKVOBKE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB02596 | Alpha,Beta-Methyleneadenosine-5'-Triphosphate | CAWZRIXWFRFUQB-IOSLPCCCSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB01222 | Budesonide | VOVIALXJUBGFJZ-KWVAZRHASA-N | 3CL pro |
| -8.9 | 6m3m | DB13816 | Aspoxicillin | BHELIUBJHYAEDK-OAIUPTLZSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB01436 | Alfacalcidol | OFHCOWSQAMBJIW-AVJTYSNKSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB09047 | Finafloxacin | FYMHQCNFKNMJAV-HOTGVXAUSA-N | 3CL pro |
| -8.9 | 6crv | DB04596 | 4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-β-D-mannopyranosyl}-D-glucopyranuronic acid | GZJXZKGVHLWBOW-AISSFXTFSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB02106 | [3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid | KIRQJXNQGZAKGR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB12779 | Higenamine | WZRCQWQRFZITDX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.9 | 7bv1 | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | 3CL pro |
| -8.9 | 7bv1 | DB14787 | BMS-830216 | YDTUJCNTIMWHPJ-NRFANRHFSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxs | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6cs2 | DB02128 | [1-(3-Hydroxy-2-Oxo-1-Phenethyl-Propylcarbamoyl)2-Phenyl-Ethyl]-Carbamic Acid Pyridin-4-Ylmethyl Ester | QCUBCTPTNWPFBC-ZEQRLZLVSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w9c | DB12041 | Mapracorat | VJGFOYBQOIPQFY-XMMPIXPASA-N | PL pro |
| -8.9 | 6vxx | DB12744 | CGI-1842 | ZXBFYBLSJMEBEP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | PL pro |
| -8.9 | 6m3m | DB06420 | Annamycin | CIDNKDMVSINJCG-GKXONYSUSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB03220 | FR233623 | OODDZQQDDOVCFD-SCLBCKFNSA-N | nucleocapsid protein |
| -8.9 | 6m71 | DB00637 | Astemizole | GXDALQBWZGODGZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB00537 | Ciprofloxacin | MYSWGUAQZAJSOK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB03363 | 3-Acetylpyridine Adenine Dinucleotide | KPVQNXLUPNWQHM-RBEMOOQDSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB00307 | Bexarotene | NAVMQTYZDKMPEU-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w9c | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB11992 | Omarigliptin | MKMPWKUAHLTIBJ-ISTRZQFTSA-N | PL pro |
| -8.9 | 6crv | DB12547 | LY-2886721 | NIDRNVHMMDAAIK-YPMLDQLKSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB07089 | N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide | VZSMTBLDWPKVRW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB00932 | Tipranavir | SUJUHGSWHZTSEU-FYBSXPHGSA-N | spike glycoprotein |
| -8.9 | 6crv | DB07987 | [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | AWAKNMKLVLWIIQ-OAHLLOKOSA-N | spike glycoprotein |
| -8.9 | 6w4b | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | nsp9 |
| -8.9 | 7bv1 | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB06529 | Ocinaplon | OQJFBUOFGHPMSR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB12550 | Taladegib | SZBGQDXLNMELTB-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB02715 | Compound 18 | UZOOIPXOYYJULJ-RHLLTPQKSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB00434 | Cyproheptadine | JJCFRYNCJDLXIK-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB13407 | Nifenazone | BRZANEXCSZCZCI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxs | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB07969 | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | QNCYYRHIUFGGJX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | S2 unit |
| -8.9 | 6lxt | DB06581 | Bevirimat | YJEJKUQEXFSVCJ-WRFMNRASSA-N | S2 unit |
| -8.9 | 6m71 | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB00414 | Acetohexamide | VGZSUPCWNCWDAN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB15170 | Evobrutinib | QUIWHXQETADMGN-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m71 | DB01047 | Fluocinonide | WJOHZNCJWYWUJD-IUGZLZTKSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB07022 | 3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate | PXERBGNIBOFZOW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | S2 unit |
| -8.9 | 6crv | DB07949 | ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID | BFQRPTKOSYMPOL-LALPNIDTSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB09078 | Lenvatinib | WOSKHXYHFSIKNG-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w9c | DB15132 | AZD-8165 | YUHNXUAATAMVKD-PZJWPPBQSA-N | PL pro |
| -8.9 | 6crv | DB08385 | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid | QUAGUFNCKDDJFZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB00404 | Alprazolam | VREFGVBLTWBCJP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | PL pro |
| -8.9 | 6vxx | DB12888 | Ezutromid | KSGCNXAZROJSNW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w4b | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | nsp9 |
| -8.9 | 6crv | DB07917 | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE | TZQGXAHOROZEKN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB03186 | U-Pi-a-Pi | JIAJERGOUFOENU-LNAOLWRRSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w9c | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | PL pro |
| -8.9 | 6w9c | DB11960 | Carboxyamidotriazole | WNRZHQBJSXRYJK-UHFFFAOYSA-N | PL pro |
| -8.9 | 6lxt | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | S2 unit |
| -8.9 | 6vxs | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB01058 | Praziquantel | FSVJFNAIGNNGKK-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB05796 | Daglutril | XMQODGUTLZXUGZ-RPBOFIJWSA-N | PL pro |
| -8.9 | 6m3m | DB09171 | β-Methylfentanyl | UXIGUKSHASXDNI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB12591 | BMS-911543 | JCINBYQJBYJGDM-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB06272 | Maxacalcitol | DTXXSJZBSTYZKE-ZDQKKZTESA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB03480 | Brequinar Analog | WYKKHJQZENLZID-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m2n | DB11698 | Ipragliflozin | AHFWIQIYAXSLBA-RQXATKFSSA-N | 3CL pro |
| -8.9 | 6crv | DB01070 | Dihydrotachysterol | ILYCWAKSDCYMBB-OPCMSESCSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB03758 | Radicicol | WYZWZEOGROVVHK-GTMNPGAYSA-N | PL pro |
| -8.9 | 6m2n | DB03495 | 4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose | FZLCJZILHGFQLM-PISLJJGOSA-N | 3CL pro |
| -8.9 | 7bv1 | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB01557 | alpha-Methylfentanyl | NGTVDHYUFBKWID-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB14086 | Cianidanol | PFTAWBLQPZVEMU-DZGCQCFKSA-N | spike glycoprotein |
| -8.9 | 6crv | DB14083 | Bisphenol A diglycidyl ether | LCFVJGUPQDGYKZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB08828 | Vismodegib | BPQMGSKTAYIVFO-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m3m | DB06246 | Exisulind | MVGSNCBCUWPVDA-MFOYZWKCSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB01180 | Rescinnamine | SZLZWPPUNLXJEA-LAFLMMDJSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB01094 | Hesperetin | AIONOLUJZLIMTK-AWEZNQCLSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB07676 | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one | CKLAPOFDFZKCPB-LBPRGKRZSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12708 | Sulprostone | UQZVCDCIMBLVNR-TWYODKAFSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB15414 | CM-4307 | MLDQJTXFUGDVEO-FIBGUPNXSA-N | PL pro |
| -8.9 | 6m3m | DB07165 | N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE | SOBGXPPOYFFGTK-UGKGYDQZSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB07410 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | BYVXAUZOTGITQZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6vxs | DB00836 | Loperamide | RDOIQAHITMMDAJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6lxt | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m3m | DB06292 | Dapagliflozin | JVHXJTBJCFBINQ-ADAARDCZSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB13867 | Fluticasone | MGNNYOODZCAHBA-GQKYHHCASA-N | 3CL pro |
| -8.9 | 6m3m | DB04882 | Edotecarin | QMVPQBFHUJZJCS-NTKFZFFISA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB14555 | Ursadiol | RTLXJEJRLWILSU-GWNGJUQLSA-N | 3CL pro |
| -8.9 | 6crv | DB07795 | Fisetin | XHEFDIBZLJXQHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB06874 | (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL | LSIZSSASMKSUIU-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m3m | DB07113 | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE | KHZQOXQOUCGGGA-NRFANRHFSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB12680 | Intepirdine | JJZFWROHYSMCMU-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB07792 | (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | VUKPNWLGSLOHIF-AWEZNQCLSA-N | spike glycoprotein |
| -8.9 | 6crv | DB00295 | Morphine | BQJCRHHNABKAKU-KBQPJGBKSA-N | spike glycoprotein |
| -8.9 | 6crv | DB07788 | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE | NEQZWEXWOFPKOT-QHSZRYGNSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB00504 | Levallorphan | OZYUPQUCAUTOBP-QXAKKESOSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | PL pro |
| -8.9 | 6crv | DB07785 | 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE | UYAJDVNLQJVRHD-SCLBCKFNSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB00655 | Estrone | DNXHEGUUPJUMQT-CBZIJGRNSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB06834 | N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide | XZRYCTLOGNCQDG-UHFFFAOYSA-N | PL pro |
| -8.9 | 6crv | DB15377 | ATB-346 | YCNMAPLPQYQJFC-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB11652 | Tucatinib | SDEAXTCZPQIFQM-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m2n | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | 3CL pro |
| -8.9 | 6crv | DB07783 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | GUYYFMCFEPDDFL-OAQYLSRUSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB06786 | Halcinonide | MUQNGPZZQDCDFT-JNQJZLCISA-N | S2 unit |
| -8.9 | 1r42 | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | ACE2 area with important AAs |
| -8.9 | 6lxt | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m3m | DB06362 | Becatecarin | JSKFWUPVIZYJMR-UDOAKELVSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB02217 | Dpb-T | WTZFKHNHHRPQOU-WSMBLCCSSA-N | 3CL pro |
| -8.9 | 6m71 | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB07763 | (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE | OZZFJGCAYWBVBI-INIZCTEOSA-N | spike glycoprotein |
| -8.9 | 6crv | DB00275 | Olmesartan | VTRAEEWXHOVJFV-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB14125 | Benazeprilat | MADRIHWFJGRSBP-ROUUACIJSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w4b | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | nsp9 |
| -8.9 | 6crv | DB12671 | Beloranib | ZEZFKUBILQRZCK-MJSCXXSSSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB07005 | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide | VZFTWWJAUZOJDH-MOPGFXCFSA-O | nucleocapsid protein |
| -8.9 | 7bv1 | DB12116 | Epigallocatechin gallate | WMBWREPUVVBILR-WIYYLYMNSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB00450 | Droperidol | RMEDXOLNCUSCGS-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB00448 | Lansoprazole | MJIHNNLFOKEZEW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB02812 | (2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide | VXDAVYUFYPFGDX-SNPRPXQTSA-N | 3CL pro |
| -8.9 | 6vxx | DB00823 | Ethynodiol diacetate | ONKUMRGIYFNPJW-KIEAKMPYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB13927 | anle138b | RCQIIBJSUWYYFU-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | S2 unit |
| -8.9 | 6vxx | DB15391 | Elenbecestat | AACUJFVOHGRMTR-DPXNYUHVSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6w9q | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.9 | 6crv | DB14624 | Nandrolone hydrogen sulfate | SKZMVWBZTQNCKW-IZPLOLCNSA-N | spike glycoprotein |
| -8.9 | 6crv | DB00741 | Hydrocortisone | JYGXADMDTFJGBT-VWUMJDOOSA-N | spike glycoprotein |
| -8.9 | 6w9q | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | nsp9 RNA-replicase |
| -8.9 | 6m2n | DB11522 | Isoflupredone | WAIJIHDWAKJCBX-BULBTXNYSA-N | 3CL pro |
| -8.9 | 6vxs | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6lxt | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | S2 unit |
| -8.9 | 6m2n | DB14066 | Tetrandrine | WVTKBKWTSCPRNU-KYJUHHDHSA-N | 3CL pro |
| -8.9 | 6lxt | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6crv | DB14569 | Tedizolid | XFALPSLJIHVRKE-GFCCVEGCSA-N | spike glycoprotein |
| -8.9 | 6crv | DB00813 | Fentanyl | PJMPHNIQZUBGLI-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08301 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE | HDCXQTPVTAIPNZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB08147 | 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid | RMWVENXKUQXLPW-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB12625 | Evogliptin | LCDDAGSJHKEABN-MLGOLLRUSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB02917 | N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide | LFGYSFPVLMPUPE-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxs | DB00496 | Darifenacin | HXGBXQDTNZMWGS-RUZDIDTESA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9q | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.9 | 6vxx | DB13793 | Vinburnine | WYJAPUKIYAZSEM-MOPGFXCFSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB02834 | IDD552 | ZCAGEXZTORJQDZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14717 | Nitrazolam | OYRPNABWTHDOFK-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14729 | Rebeccamycin | QEHOIJJIZXRMAN-QZQSLCQPSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m2n | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxx | DB14661 | Loperamide oxide | KXVSBTJVTUVNPM-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB00796 | Candesartan cilexetil | GHOSNRCGJFBJIB-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB00678 | Losartan | PSIFNNKUMBGKDQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB14802 | ONO-2952 | ZBQMTQGDBFZUBG-NRFANRHFSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14793 | RO-5045337 | QBGKPEROWUKSBK-QPPIDDCLSA-N | spike glycoprotein |
| -8.9 | 6w9q | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | nsp9 RNA-replicase |
| -8.9 | 6m71 | DB02498 | Carba-Nicotinamide-Adenine-Dinucleotide | DGPLSUKWXXSBCU-VGXGLJSLSA-O | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB14821 | Macozinone | BJDZBXGJNBMCAV-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14828 | ABX-464 | OZOGDCZJYVSUBR-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14649 | Dexamethasone acetate | AKUJBENLRBOFTD-RPRRAYFGSA-N | spike glycoprotein |
| -8.9 | 6w9q | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.9 | 6crv | DB14627 | Oxyphenisatin acetate | PHPUXYRXPHEJDF-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14844 | ONC-201 | VLULRUCCHYVXOH-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB00620 | Triamcinolone | GFNANZIMVAIWHM-OBYCQNJPSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08267 | 6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | PBZAIUVFRISTSZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB02716 | 7-Methyl-Guanosine-5'-Triphosphate | DKVRNHPCAOHRSI-KQYNXXCUSA-O | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | YBKLJTXDSBEVRV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6crv | DB12597 | ABL-001 | VOVZXURTCKPRDQ-CQSZACIVSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14895 | Vibegron | DJXRIQMCROIRCZ-XOEOCAAJSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | spike glycoprotein |
| -8.9 | 6crv | DB00604 | Cisapride | DCSUBABJRXZOMT-IRLDBZIGSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB00470 | Dronabinol | CYQFCXCEBYINGO-IAGOWNOFSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB00799 | Tazarotene | OGQICQVSFDPSEI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB14584 | Segesterone | SFLXYFZGKSGFKA-XUDSTZEESA-N | spike glycoprotein |
| -8.9 | 6lxt | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | S2 unit |
| -8.9 | 6vxs | DB00246 | Ziprasidone | MVWVFYHBGMAFLY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6wiq | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.9 | 6cs2 | DB08490 | CTS-1027 | ROSNVSQTEGHUKU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m71 | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB06578 | Tonabersat | XLIIRNOPGJTBJD-ROUUACIJSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB08046 | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide | JIVPVXMEBJLZRO-AWEZNQCLSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB00278 | Argatroban | KXNPVXPOPUZYGB-IOVMHBDKSA-N | ACE2 area for S-protein binding |
| -8.9 | 6lxt | DB06455 | Meclinertant | DYLJVOXRWLXDIG-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m2n | DB09215 | Droxicam | OEHFRZLKGRKFAS-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6crv | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB15406 | GLPG-0974 | MPMKMQHJHDHPBE-RUZDIDTESA-N | spike glycoprotein |
| -8.9 | 6crv | DB08024 | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | MUUVLSCVDXKQQV-OALUTQOASA-N | spike glycoprotein |
| -8.9 | 6crv | DB08020 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL | RHQLNMNKTIOREN-AOIWGVFYSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB02491 | 4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine | CJSSYVIHFXDFFC-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6cs2 | DB01977 | 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine | AECPTICWHONWNW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 7bv1 | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB00568 | Cinnarizine | DERZBLKQOCDDDZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6lxt | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m3m | DB05048 | Cannabinor | GSTZHANFXAKPSE-MXTREEOPSA-N | nucleocapsid protein |
| -8.9 | 6w4b | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | nsp9 |
| -8.9 | 6m3m | DB06993 | (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine | PTAHVQJZNFGPHN-WFWWEWPISA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | S2 unit |
| -8.9 | 6m2n | DB03161 | Thymidine-5'-Diphospho-Beta-D-Xylose | AJUADKZRQSBUAK-KDGZBOQCSA-N | 3CL pro |
| -8.9 | 7bv1 | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB07140 | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | JPENSYBRTSIYGO-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB15106 | Surufatinib | TTZSNFLLYPYKIL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4b | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | nsp9 |
| -8.9 | 6vxx | DB13252 | Tropatepine | JOQKFRLFXDPXHX-HDICACEKSA-N | spike glycoprotein |
| -8.9 | 6w9q | DB05412 | Talmapimod | ZMELOYOKMZBMRB-DLBZAZTESA-N | nsp9 RNA-replicase |
| -8.9 | 6vxs | DB06816 | Pyrvinium | QMHSXPLYMTVAMK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB00912 | Repaglinide | FAEKWTJYAYMJKF-QHCPKHFHSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB12022 | Evatanepag | WOHRHWDYFNWPNG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB00206 | Reserpine | QEVHRUUCFGRFIF-MDEJGZGSSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6crv | DB00862 | Vardenafil | SECKRCOLJRRGGV-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB00737 | Meclizine | OCJYIGYOJCODJL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB01120 | Gliclazide | BOVGTQGAOIONJV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB01116 | Trimethaphan | CHQOEHPMXSHGCL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB07124 | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | CCIACUJJBPSOHE-KRWDZBQOSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB03034 | D-Levofloxacin | GSDSWSVVBLHKDQ-SNVBAGLBSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB06944 | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide | RIGZCVNCFXYBEG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | S2 unit |
| -8.9 | 7bv1 | DB15126 | IMG-7289 | KQKBMHGOHXOHTD-KKUQBAQOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB06948 | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE | XWWRLKIBRPJQJX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | ACE2 area for S-protein binding |
| -8.9 | 6w9c | DB13347 | Diphenadione | JYGLAHSAISAEAL-UHFFFAOYSA-N | PL pro |
| -8.9 | 6crv | DB12565 | Abexinostat | MAUCONCHVWBMHK-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08340 | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE | LLYYAUZAGCZEKV-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB03751 | 2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose | YSYKRGRSMLTJNL-URARBOGNSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m71 | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6cs2 | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB06620 | Aplindore | DYJIKHYBKVODAC-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxs | DB15460 | AGG-523 | JWQMTWCFNZSLNR-DEOSSOPVSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB08063 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE | HLZMYWLMBBLASX-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB03046 | 7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide | KQUXAFOLFXHVQN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB08056 | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | KKYYLKPGILUPOA-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | S2 unit |
| -8.9 | 7bv1 | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB07190 | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide | JGFCNVHEEMBVJG-MOPGFXCFSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB00655 | Estrone | DNXHEGUUPJUMQT-CBZIJGRNSA-N | spike glycoprotein |
| -8.9 | 6crv | DB07493 | (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE | IEQQJQHHJMQETK-YPKPFQOOSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB01347 | Saprisartan | DUEWVPTZCSAMNB-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB07520 | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N-2-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | BJIKKEHGGYGGIX-HOTGVXAUSA-N | spike glycoprotein |
| -8.9 | 6w4h | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | nsp16 - nsp10 |
| -8.9 | 6w9c | DB14845 | Filgotinib | RIJLVEAXPNLDTC-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m2n | DB14657 | Paramethasone acetate | HYRKAAMZBDSJFJ-LFDBJOOHSA-N | 3CL pro |
| -8.9 | 6crv | DB07439 | 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE | CAWXCABXSPTFRN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxs | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6vxs | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB12480 | Betulinic Acid | QGJZLNKBHJESQX-FZFNOLFKSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08532 | 6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine | WCNPGRRMPFCHEO-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB01150 | Cefprozil | WDLWHQDACQUCJR-PBFPGSCMSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB14775 | Cavosonstat | BXSZILNGNMDGSL-UHFFFAOYSA-N | PL pro |
| -8.9 | 6crv | DB01212 | Ceftriaxone | VAAUVRVFOQPIGI-SPQHTLEESA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB12235 | Estetrol | AJIPIJNNOJSSQC-NYLIRDPKSA-N | spike glycoprotein |
| -8.9 | 6w9q | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.9 | 6vxx | DB12068 | T-900607 | FSXLOWIFSZNIMV-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB07250 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE | HMKLUOPMOJOUDZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB14634 | Fluprednidene acetate | DEFOZIFYUBUHHU-IYQKUMFPSA-N | PL pro |
| -8.9 | 6w9c | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | PL pro |
| -8.9 | 6crv | DB12512 | Verucerfont | VKHVAUKFLBBZFJ-SFHVURJKSA-N | spike glycoprotein |
| -8.9 | 6m71 | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB14941 | BMS-817399 | GTDPZONCGOCXOD-JPYJTQIMSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB14862 | PF-06815345 | QTBYVAZRKWOIDU-FUHWJXTLSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB11511 | Difloxacin | NOCJXYPHIIZEHN-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB07457 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | APYXQTXFRIDSGE-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08557 | 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide | XQKFKSJUBJPOLY-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6vxs | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 7bv1 | DB04042 | 2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol | XLJNZONSWKENRP-VABIIVNOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6crv | DB13956 | Estradiol valerate | RSEPBGGWRJCQGY-RBRWEJTLSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB04841 | Flunarizine | SMANXXCATUTDDT-QPJJXVBHSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB05944 | Varlitinib | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB03358 | 7n-Methyl-8-Hydroguanosine-5'-Triphosphate | BUJQMJUTTBGELS-KQYNXXCUSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB06140 | SUVN-502 | GWCYPEHWIZXYFZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB14899 | Tavapadon | AKQXQLUNFKDZBN-UHFFFAOYSA-N | PL pro |
| -8.9 | 6m2n | DB11741 | Famitinib | GKEYKDOLBLYGRB-LGMDPLHJSA-N | 3CL pro |
| -8.9 | 6crv | DB07278 | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE | ACEFOQMQINFMRW-DYCFVMESSA-N | spike glycoprotein |
| -8.9 | 6crv | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB08485 | (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID | QMNMNSINKIFYBV-LMMKCTJWSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6w9c | DB14664 | Difluocortolone pivalate | UWGRWFCLGQWKPR-GSTUPEFVSA-N | PL pro |
| -8.9 | 6m3m | DB00438 | Ceftazidime | ORFOPKXBNMVMKC-DWVKKRMSSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB06040 | Filanesib | LLXISKGBWFTGEI-FQEVSTJZSA-N | nucleocapsid protein |
| -8.9 | 6vxx | DB11687 | E-6201 | MWUFVYLAWAXDHQ-HMNLTAHHSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB14662 | Flunisolide acetate | WEGNFRKBIKYVLC-XTLNBZDDSA-N | 3CL pro |
| -8.9 | 7bv1 | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4h | DB01328 | Cefonicid | DYAIAHUQIPBDIP-AXAPSJFSSA-N | nsp16 - nsp10 |
| -8.9 | 7bv1 | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 7bv1 | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB03701 | Vanoxerine | NAUWTFJOPJWYOT-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6vxs | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB08538 | N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | HQPVGVSQPQVZLD-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB07245 | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE | AEVBKBAFFJKFJZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB01933 | 7-Hydroxystaurosporine | PBCZSGKMGDDXIJ-HQCWYSJUSA-N | 3CL pro |
| -8.9 | 6m2n | DB08614 | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE | MYFMPKCOIMRDDD-KRWDZBQOSA-N | 3CL pro |
| -8.9 | 6m3m | DB15057 | NUC-1031 | NHTKGYOMICWFQZ-KKQYNPQSSA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB01763 | 7-thionicotinamide-adenine-dinucleotide phosphate | OJNFDOAQUXJWED-NNYOXOHSSA-N | 3CL pro |
| -8.9 | 6w9q | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | nsp9 RNA-replicase |
| -8.9 | 6vxx | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | spike glycoprotein |
| -8.9 | 6m2n | DB11795 | GSK-2636771 | XTKLTGBKIDQGQL-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6m2n | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | 3CL pro |
| -8.9 | 6lxt | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | S2 unit |
| -8.9 | 6m3m | DB00704 | Naltrexone | DQCKKXVULJGBQN-XFWGSAIBSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB07642 | 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | GYKIQIOWVKCVBP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m2n | DB01893 | N6-Benzyl Adenosine-5'-Diphosphate | MRHGMAGSDAQUFH-LSCFUAHRSA-N | 3CL pro |
| -8.9 | 6m3m | DB05552 | TG100-115 | UJIAQDJKSXQLIT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB14654 | Bisoxatin acetate | ZCBJDQBSLZREAA-UHFFFAOYSA-N | PL pro |
| -8.9 | 6w9c | DB14657 | Paramethasone acetate | HYRKAAMZBDSJFJ-LFDBJOOHSA-N | PL pro |
| -8.9 | 6vxs | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m2n | DB03932 | LFA703 | WPVRNXUYVXQXPY-YFAYRSKXSA-N | 3CL pro |
| -8.9 | 6m3m | DB02615 | Compound 19 | UZOOIPXOYYJULJ-BLIZRMSTSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB06263 | Amrubicin | VJZITPJGSQKZMX-XDPRQOKASA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB14993 | Pyrotinib | SADXACCFNXBCFY-IYNHSRRRSA-N | nucleocapsid protein |
| -8.9 | 7bv1 | DB03161 | Thymidine-5'-Diphospho-Beta-D-Xylose | AJUADKZRQSBUAK-KDGZBOQCSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB05197 | Sofalcone | GFWRVVCDTLRWPK-KPKJPENVSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB12744 | CGI-1842 | ZXBFYBLSJMEBEP-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6crv | DB07531 | 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | JNPRTUHVCHGFHJ-GHXNOFRVSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6vxx | DB09268 | Picosulfuric acid | UJIDKYTZIQTXPM-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB15106 | Surufatinib | TTZSNFLLYPYKIL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | nsp16 - nsp10 |
| -8.9 | 6lzg | DB00878 | Chlorhexidine | GHXZTYHSJHQHIJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6w4h | DB00950 | Fexofenadine | RWTNPBWLLIMQHL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB08437 | Puromycin | RXWNCPJZOCPEPQ-NVWDDTSBSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB14902 | JHU-75528 C-11 | MCNQUWLLXZZZAC-BJUDXGSMSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB14069 | ONT-093 | RSJCLODJSVZNQA-BQYQJAHWSA-N | spike glycoprotein |
| -8.9 | 6vxx | DB12021 | Dinaciclib | PIMQWRZWLQKKBJ-SFHVURJKSA-N | spike glycoprotein |
| -8.9 | 6lxt | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6w4b | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | nsp9 |
| -8.9 | 6crv | DB08441 | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1-3,7-]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE | AWSQADBSXFTFKL-UHFFFAOYSA-N | spike glycoprotein |
| -8.9 | 6m3m | DB07373 | ANDROSTA-1,4-DIENE-3,17-DIONE | LUJVUUWNAPIQQI-QAGGRKNESA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB01089 | Deserpidine | CVBMAZKKCSYWQR-WCGOZPBSSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB15078 | Rogaratinib | HNLRRJSKGXOYNO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9q | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.9 | 7bv1 | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m2n | DB08463 | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol | HOCBJBNQIQQQGT-LJQANCHMSA-N | 3CL pro |
| -8.9 | 6vxx | DB12306 | Cipargamin | CKLPLPZSUQEDRT-WPCRTTGESA-N | spike glycoprotein |
| -8.9 | 6m3m | DB05395 | Amibegron | RDJQCOBTKKAQAH-FPOVZHCZSA-N | nucleocapsid protein |
| -8.9 | 6vxs | DB06364 | XR5944 | SFOADSRLCHRTKT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6m3m | DB05738 | Vapitadine | VQWGYPVNVICKFC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB15096 | 18-methoxycoronaridine | DTJQBBHYRQYDEG-SVBQBFEESA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB14218 | Telotristat | NCLGDOBQAWBXRA-PGRDOPGGSA-N | PL pro |
| -8.9 | 6lxt | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | S2 unit |
| -8.9 | 6m2n | DB04040 | N-(2-Morpholin-4-Yl-1-Morpholin-4-Ylmethyl-Ethyl)-3-Nitro-5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yloxy)-Benzamide | MCMWCTMAKPQTPI-WGNYYXNJSA-N | 3CL pro |
| -8.9 | 6m2n | DB08752 | N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | IRSOCWQJNYLTDD-SFHVURJKSA-N | 3CL pro |
| -8.9 | 6cs2 | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB15091 | Upadacitinib | WYQFJHHDOKWSHR-MNOVXSKESA-N | nucleocapsid protein |
| -8.9 | 6m2n | DB11828 | Neratinib | JWNPDZNEKVCWMY-VQHVLOKHSA-N | 3CL pro |
| -8.9 | 6m2n | DB11763 | Momelotinib | ZVHNDZWQTBEVRY-UHFFFAOYSA-N | 3CL pro |
| -8.9 | 6cs2 | DB13991 | Pipequaline | AMEWZCMTSIONOX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxx | DB12320 | Palovarotene | YTFHCXIPDIHOIA-DHZHZOJOSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m3m | DB15065 | PF-06291874 | IBDYYOQKQCCSDP-QFIPXVFZSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w4h | DB00137 | Lutein | KBPHJBAIARWVSC-RGZFRNHPSA-N | nsp16 - nsp10 |
| -8.9 | 6crv | DB12745 | GSK-690693 | KGPGFQWBCSZGEL-ZDUSSCGKSA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB12500 | Fedratinib | JOOXLOJCABQBSG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w4b | DB14850 | Deleobuvir | BMAIGAHXAJEULY-UKTHLTGXSA-N | nsp9 |
| -8.9 | 6crv | DB08568 | (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE | BPNUQXPIQBZCMR-IBGZPJMESA-N | spike glycoprotein |
| -8.9 | 6m3m | DB07343 | 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | NFNNMVVXXITVGD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6w9q | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.9 | 6crv | DB01388 | Mibefradil | HBNPJJILLOYFJU-VMPREFPWSA-N | spike glycoprotein |
| -8.9 | 6crv | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | spike glycoprotein |
| -8.9 | 7bv1 | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6w9c | DB15092 | LY-2624803 | UEFWDVMEDFCHGW-UHFFFAOYSA-N | PL pro |
| -8.9 | 6vxs | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.9 | 6w9c | DB15055 | ABT-639 | AGPIHNZOZNKRGT-CYBMUJFWSA-N | PL pro |
| -8.9 | 6m3m | DB15333 | AZD-1386 | FPGNKXCEPARJDI-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.9 | 6w9c | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | PL pro |
| -8.9 | 6w9q | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.9 | 6lxt | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | S2 unit |
| -8.9 | 6lxt | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | S2 unit |
| -8.9 | 6m3m | DB15347 | Branebrutinib | VJPPLCNBDLZIFG-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.9 | 6lxt | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | S2 unit |
| -8.9 | 7bv1 | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6lzg | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.9 | 6m3m | DB00783 | Estradiol | VOXZDWNPVJITMN-ZBRFXRBCSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB01406 | Danazol | POZRVZJJTULAOH-LHZXLZLDSA-N | spike glycoprotein |
| -8.9 | 6cs2 | DB08916 | Afatinib | ULXXDDBFHOBEHA-CWDCEQMOSA-N | ACE2 area for S-protein binding |
| -8.9 | 6vxs | DB07435 | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | GFANZDFKCCJYRF-NSISKUIASA-N | ribose phosphatase of NSP3 |
| -8.9 | 6crv | DB01137 | Levofloxacin | GSDSWSVVBLHKDQ-JTQLQIEISA-N | spike glycoprotein |
| -8.9 | 6m3m | DB05913 | OSI-930 | FGTCROZDHDSNIO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6m3m | DB07222 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE | RJWMDETWDDESBP-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.9 | 6cs2 | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | ACE2 area for S-protein binding |
| -8.9 | 6m71 | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | nsp12-nsp7-nsp8 |
| -8.9 | 6m3m | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.9 | 6crv | DB07568 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE | ADRNPUSZBRQDBG-KRWDZBQOSA-N | spike glycoprotein |
| -8.9 | 6w9c | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | PL pro |
| -8.8 | 7bv1 | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6cs2 | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | S2 unit |
| -8.8 | 6crv | DB00525 | Tolnaftate | FUSNMLFNXJSCDI-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB04140 | 1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide | SUSMVCKSLVPRCL-QGZVFWFLSA-N | PL pro |
| -8.8 | 6m2n | DB12949 | PF-03382792 | AGMOFKKOVMRGAK-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB05611 | Apilimod | HSKAZIJJKRAJAV-KOEQRZSOSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB06717 | Fosaprepitant | BARDROPHSZEBKC-OITMNORJSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 7bv1 | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB00486 | Nabilone | GECBBEABIDMGGL-RTBURBONSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB08546 | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | CETLUACQMGBMFH-ZALSBGIRSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6cs2 | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9q | DB12424 | MK-3207 | AZAANWYREOQRFB-SETSBSEESA-N | nsp9 RNA-replicase |
| -8.8 | 6cs2 | DB12285 | Verubecestat | YHYKUSGACIYRML-KRWDZBQOSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB09076 | Umeclidinium | FVTWTVQXNAJTQP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB09075 | Edoxaban | HGVDHZBSSITLCT-JLJPHGGASA-N | nucleocapsid protein |
| -8.8 | 6crv | DB03069 | Cytidine-5'-Diphospho-Beta-D-Xylose | NWSKPSPTJOAICE-OCIMBMBZSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | S2 unit |
| -8.8 | 6m3m | DB00605 | Sulindac | MLKXDPUZXIRXEP-MFOYZWKCSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | S2 unit |
| -8.8 | 6w9c | DB03865 | 6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine | FEKRWNWZMOSVBX-UHFFFAOYSA-O | PL pro |
| -8.8 | 6vxx | DB07969 | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | QNCYYRHIUFGGJX-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB13651 | Lorajmine | LAHDERDHXJFFJU-ZWNKPRIXSA-N | spike glycoprotein |
| -8.8 | 6w9q | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 6m3m | DB05416 | Cardarine | YDBLKRPLXZNVNB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB12937 | Quercetin-3'-O-phosphate | UWJBYNLLMAPJMM-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB13024 | MK-8245 | UJEAABFSXKCSGI-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w9c | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m2n | DB12939 | Nikkomycin Z | WWJFFVUVFNBJTN-VHDFTHOZSA-N | 3CL pro |
| -8.8 | 6m3m | DB01767 | Hemi-Babim | KKJYVDXDZURHMA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB14718 | Pyrazolam | BGRWSFIQQPVEML-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB14209 | Trandolaprilat | AHYHTSYNOHNUSH-HXFGRODQSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB01452 | Diamorphine | GVGLGOZIDCSQPN-PVHGPHFFSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB08463 | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol | HOCBJBNQIQQQGT-LJQANCHMSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB09172 | Brifentanil | KKMGCTVJCQYQPV-WBVHZDCISA-N | nucleocapsid protein |
| -8.8 | 6vxs | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxx | DB07675 | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID | WMUIIGVAWPWQAW-DEOSSOPVSA-N | spike glycoprotein |
| -8.8 | 6w9q | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 6cs2 | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9q | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | nsp9 RNA-replicase |
| -8.8 | 6cs2 | DB07215 | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID | ILUPZUOBHCUBKB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB14069 | ONT-093 | RSJCLODJSVZNQA-BQYQJAHWSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB07471 | 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE | UHCHLTQBLNUYRT-GFCCVEGCSA-N | PL pro |
| -8.8 | 6m3m | DB06746 | ginkgolide-J | LMEHVEUFNRJAAV-UKWFQYJJSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB07468 | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | NJBBBRZNBVLTRZ-GOSISDBHSA-N | PL pro |
| -8.8 | 6crv | DB00643 | Mebendazole | OPXLLQIJSORQAM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB14097 | 13-cis-12-(3'-Carboxyphenyl)retinoic acid | XKKDQOHDTASHCE-PAZAWXFKSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB00604 | Cisapride | DCSUBABJRXZOMT-IRLDBZIGSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB11778 | Danusertib | XKFTZKGMDDZMJI-HSZRJFAPSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9q | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | nsp9 RNA-replicase |
| -8.8 | 6w9c | DB03921 | 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline | IBCXZJCWDGCXQT-UHFFFAOYSA-N | PL pro |
| -8.8 | 7bv1 | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB08389 | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UPTQSRGSSJRBKJ-LJQANCHMSA-N | spike glycoprotein |
| -8.8 | 6lzg | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w9c | DB07274 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide | ZATGFXTWDKIEKC-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB03447 | Uridylyl-2'-5'-Phospho-Adenosine | QARCCHXXGAIRFS-KPKSGTNCSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB12477 | Perfluoro tert-butylcyclohexane | VLTXBOGHSBHSAC-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxs | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9c | DB07263 | [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | WDTMVBQZDFMOIK-GOSISDBHSA-N | PL pro |
| -8.8 | 6w9c | DB04023 | Guanosine 5'-(Trihydrogen Diphosphate), P'-D-Mannopyranosyl Ester | DNBSDUDYNPJVCN-ZXTXFPBHSA-N | PL pro |
| -8.8 | 6w9c | DB03944 | 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One | IZLRMTJLQCLMKF-CYBMUJFWSA-N | PL pro |
| -8.8 | 6cs2 | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 7bv1 | DB15246 | Salvianolic acid A | YMGFTDKNIWPMGF-UCPJVGPRSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB07229 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE | MINVOLKUPZPDNX-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m2n | DB13223 | Fluocortin | PUWHHWCHAVXSIG-NCLPIGKXSA-N | 3CL pro |
| -8.8 | 6crv | DB00543 | Amoxapine | QWGDMFLQWFTERH-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB03397 | Uridine-Diphosphate-N-Acetylglucosamine | LFTYTUAZOPRMMI-CFRASDGPSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB06629 | Zibotentan | FJHHZXWJVIEFGJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB08517 | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one | DJOJDHGQRNZXQQ-AWEZNQCLSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB06684 | Vilazodone | SGEGOXDYSFKCPT-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxs | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB13631 | Methoserpidine | ULBNWNUHGJLQHO-VKMIBBQISA-N | spike glycoprotein |
| -8.8 | 6vxx | DB14214 | Rose bengal lactone | IICCLYANAQEHCI-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB11766 | AZD-1305 | BLLNYXOLLAVTRF-HDICACEKSA-N | spike glycoprotein |
| -8.8 | 6crv | DB00567 | Cephalexin | ZAIPMKNFIOOWCQ-UEKVPHQBSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB05265 | Ecabet | IWCWQNVIUXZOMJ-MISYRCLQSA-N | nucleocapsid protein |
| -8.8 | 6vxs | DB06137 | KX-01 | HUNGUWOZPQBXGX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxs | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | ribose phosphatase of NSP3 |
| -8.8 | 7bv1 | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB01661 | 1-(5-phospho-D-ribosyl)-ATP | RKNHJBVBFHDXGR-MRUDJCSFSA-N | S2 unit |
| -8.8 | 6vxx | DB14512 | Mometasone furoate | WOFMFGQZHJDGCX-ZULDAHANSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB05532 | BMS-488043 | DBPMWRYLTBNCCE-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB00923 | Ceforanide | SLAYUXIURFNXPG-CRAIPNDOSA-N | 3CL pro |
| -8.8 | 6w9q | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 6crv | DB00564 | Carbamazepine | FFGPTBGBLSHEPO-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB06847 | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | YYCPXVRHQUEVAW-CQSZACIVSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB00611 | Butorphanol | IFKLAQQSCNILHL-PWRODBHTSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB05552 | TG100-115 | UJIAQDJKSXQLIT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9q | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 6m2n | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | 3CL pro |
| -8.8 | 6vxs | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9c | DB06590 | Ceftaroline fosamil | ZCCUWMICIWSJIX-NQJJCJBVSA-N | PL pro |
| -8.8 | 6cs2 | DB07294 | 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid | AANFHDFOMFRLLR-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB13506 | Carfecillin | NZDASSHFKWDBBU-KVMCETHSSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB06346 | Fiboflapon | DFQGDHBGRSTTHX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 7bv1 | DB00496 | Darifenacin | HXGBXQDTNZMWGS-RUZDIDTESA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB06440 | Ravuconazole | OPAHEYNNJWPQPX-RCDICMHDSA-N | PL pro |
| -8.8 | 7bv1 | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB03124 | 5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid | LBAHOXPDTNUYCX-INIZCTEOSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB04982 | Talampanel | JACAAXNEHGBPOQ-LLVKDONJSA-N | PL pro |
| -8.8 | 6w9c | DB06414 | Etravirine | PYGWGZALEOIKDF-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB00656 | Trazodone | PHLBKPHSAVXXEF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB06412 | Oxymetholone | ICMWWNHDUZJFDW-DHODBPELSA-N | PL pro |
| -8.8 | 6m2n | DB02177 | 1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine | GKGJFUXSTSUKPB-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxs | DB08822 | Azilsartan medoxomil | QJFSABGVXDWMIW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m71 | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | PL pro |
| -8.8 | 6m3m | DB01712 | (3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Phenylalanine Ethyl Ester | NDDSSAGSYFVBTG-SFTDATJTSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | S2 unit |
| -8.8 | 6w9c | DB06732 | beta-Naphthoflavone | OUGIDAPQYNCXRA-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB02834 | IDD552 | ZCAGEXZTORJQDZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB06395 | Abafungin | TYBHXIFFPVFXQW-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w9c | DB04834 | Rapacuronium | HTIKWNNIPGXLGM-YLINKJIISA-N | PL pro |
| -8.8 | 7bv1 | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB06744 | ginkgolide-B | SQOJOAFXDQDRGF-MMQTXUMRSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB08058 | 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one | HGEPGGJUGUMFHT-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6w9c | DB06660 | Saredutant | PGKXDIMONUAMFR-AREMUKBSSA-N | PL pro |
| -8.8 | 6lzg | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6vxx | DB06745 | ginkgolide-C | AMOGMTLMADGEOQ-DTDWCABLSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB07325 | N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | VCOKUBHAJVTVNG-FMIVXFBMSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxs | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9c | DB04879 | Vatalanib | YCOYDOIWSSHVCK-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB06624 | Taranabant | QLYKJCMUNUWAGO-GAJHUEQPSA-N | PL pro |
| -8.8 | 6vxs | DB06306 | Onalespib | IFRGXKKQHBVPCQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB04405 | 2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid | AQYSXARQCHHHLK-NRFANRHFSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB00956 | Hydrocodone | LLPOLZWFYMWNKH-CMKMFDCUSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB12743 | Z-160 | VCPMZDWBEWTGNW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB00834 | Mifepristone | VKHAHZOOUSRJNA-GCNJZUOMSA-N | 3CL pro |
| -8.8 | 6m2n | DB02115 | Daidzin | KYQZWONCHDNPDP-QNDFHXLGSA-N | 3CL pro |
| -8.8 | 6crv | DB15092 | LY-2624803 | UEFWDVMEDFCHGW-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB08861 | DPDPE | MCMMCRYPQBNCPH-WMIMKTLMSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | S2 unit |
| -8.8 | 6w9c | DB05412 | Talmapimod | ZMELOYOKMZBMRB-DLBZAZTESA-N | PL pro |
| -8.8 | 6vxx | DB08042 | N-4-methyl-N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | FLXGQDHYCWXTAI-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB05706 | 13-deoxydoxorubicin | RGVRUQHYQSORBY-JIGXQNLBSA-N | PL pro |
| -8.8 | 6lxt | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | S2 unit |
| -8.8 | 6cs2 | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB05552 | TG100-115 | UJIAQDJKSXQLIT-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB05511 | Piclidenoson | HUJXGQILHAUCCV-MOROJQBDSA-N | PL pro |
| -8.8 | 6w9c | DB05498 | KW-7158 | NAFSYPCVPLWHFY-HNNXBMFYSA-N | PL pro |
| -8.8 | 6crv | DB15099 | GW-468816 | XDKRVNKVAKCFGW-WXWBBQJKSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB02046 | N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid | WHPKSASOSKNDPY-PKOBYXMFSA-N | 3CL pro |
| -8.8 | 6crv | DB03037 | Oxidized Acetyl Dithranol | IKFRFGXQHSBCQM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB06160 | Garenoxacin | NJDRXTDGYFKORP-LLVKDONJSA-N | PL pro |
| -8.8 | 6m3m | DB04434 | Naphthyridine Inhibitor | YRBHUKMLAGQYHS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB06321 | R-348 | IGLNXKVGKIFNBQ-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB08791 | 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE | USLOIFPDNUDIEG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 7bv1 | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB05134 | Tanespimycin | AYUNIORJHRXIBJ-TXHRRWQRSA-N | PL pro |
| -8.8 | 6cs2 | DB13653 | Lorcainide | XHOJAWVAWFHGHL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 7bv1 | DB02547 | Guanosine-5'-Diphosphate-Rhamnose | LQEBEXMHBLQMDB-GDJBGNAASA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB15424 | Bfpet F-18 | QWPLCHDPESWJRN-FNNGWQQSSA-N | 3CL pro |
| -8.8 | 6crv | DB11721 | Mitoglitazone | IRNJSRAGRIZIHD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB06237 | Avanafil | WEAJZXNPAWBCOA-INIZCTEOSA-N | PL pro |
| -8.8 | 6cs2 | DB12388 | Evocalcet | RZNUIYPHQFXBAN-XLIONFOSSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB06202 | Lasofoxifene | GXESHMAMLJKROZ-IAPPQJPRSA-N | PL pro |
| -8.8 | 7bv1 | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB06166 | Fosdevirine | CGBYTKOSZYQOPV-CCEZBSFNSA-N | PL pro |
| -8.8 | 6crv | DB00136 | Calcitriol | GMRQFYUYWCNGIN-NKMMMXOESA-N | spike glycoprotein |
| -8.8 | 6w9q | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 6lzg | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w9c | DB04824 | Phenolphthalein | KJFMBFZCATUALV-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB06134 | SNS-314 | FAYAUAZLLLJJGH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB07289 | 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID | XEQPGVUGYAUMSA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB06209 | Prasugrel | DTGLZDAWLRGWQN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxs | DB08597 | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | XHBVYDAKJHETMP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB11743 | Ipatasertib | GRZXWCHAXNAUHY-NSISKUIASA-N | spike glycoprotein |
| -8.8 | 6w9q | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 6w9c | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9q | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | nsp9 RNA-replicase |
| -8.8 | 6m3m | DB08609 | (2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide | SHEIQJGQDUYUBE-GOSISDBHSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB11529 | Melengestrol | OKHAOBQKCCIRLO-IBVJIVQJSA-N | S2 unit |
| -8.8 | 6vxs | DB02573 | 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate | LYWWDKIADIGKTH-IDMWBNCISA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB02738 | Adenosine-5'-Pentaphosphate | WYJWVZZCMBUPSP-KQYNXXCUSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | nucleocapsid protein |
| -8.8 | 6w9q | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 7bv1 | DB13371 | Difenpiramide | PWHROYKAGRUWDQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB05076 | Fenretinide | AKJHMTWEGVYYSE-FXILSDISSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB07704 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | UKRVQKUVWNDGMN-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB05796 | Daglutril | XMQODGUTLZXUGZ-RPBOFIJWSA-N | 3CL pro |
| -8.8 | 6w9q | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | nsp9 RNA-replicase |
| -8.8 | 6m71 | DB11753 | Rifamycin | HJYYPODYNSCCOU-ODRIEIDWSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6cs2 | DB07265 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID | JDARUOOLJCFUOY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6cs2 | DB13685 | Quingestanol | PCJFRMOEZQQSAX-AIOSZGMZSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB06721 | Gimatecan | UIVFUQKYVFCEKJ-OPTOVBNMSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB11577 | Indigotindisulfonic Acid | CFZXDJWFRVEWSR-BUHFOSPRSA-N | S2 unit |
| -8.8 | 6m2n | DB02510 | '5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine | LKVJEMXWEODCAY-JVEUSOJLSA-N | 3CL pro |
| -8.8 | 6cs2 | DB12512 | Verucerfont | VKHVAUKFLBBZFJ-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB15048 | Licogliflozin | XFJAMQQAAMJFGB-ZQGJOIPISA-N | spike glycoprotein |
| -8.8 | 6w9q | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | nsp9 RNA-replicase |
| -8.8 | 6w9c | DB07008 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | XPXGYINSBORUMM-UHFFFAOYSA-N | PL pro |
| -8.8 | 6vxx | DB07686 | 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | VPOGRVWIIVMWRI-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB08549 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | MFDBNNQUDZFSES-KRWDZBQOSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB01876 | Bis(5-Amidino-2-Benzimidazolyl)Methanone | VVVXDHROXQUONB-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w9c | DB07113 | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE | KHZQOXQOUCGGGA-NRFANRHFSA-N | PL pro |
| -8.8 | 6m2n | DB15346 | GLPG-1205 | IRBAWVGZNJIROV-SFHVURJKSA-N | 3CL pro |
| -8.8 | 6m71 | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB04461 | Coproporphyrinogen III | NIUVHXTXUXOFEB-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB04348 | Taurocholic Acid | WBWWGRHZICKQGZ-HZAMXZRMSA-N | PL pro |
| -8.8 | 6m3m | DB06579 | Adipiplon | UAMAIHOEGLEXSV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6m3m | DB08975 | Florantyrone | QOBAOSCOLAGPKI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB05992 | Plinabulin | UNRCMCRRFYFGFX-TYPNBTCFSA-N | 3CL pro |
| -8.8 | 6m3m | DB04461 | Coproporphyrinogen III | NIUVHXTXUXOFEB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB06090 | Bradanicline | OXKRFEWMSWPKKV-GHTZIAJQSA-N | 3CL pro |
| -8.8 | 6crv | DB00353 | Methylergometrine | UNBRKDKAWYKMIV-QWQRMKEZSA-N | spike glycoprotein |
| -8.8 | 6crv | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB07697 | 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine | HMGDKYUJSFVHIY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB03181 | 2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione | RXQAVKWRCZYGMV-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB14769 | Pamiparib | DENYZIUJOTUUNY-MRXNPFEDSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB15431 | M-2698 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | 3CL pro |
| -8.8 | 6w9c | DB04823 | Oxyphenisatin | SJDACOMXKWHBOW-UHFFFAOYSA-N | PL pro |
| -8.8 | 6lxt | DB12382 | R-306465 | MUTBJZVSRNUIHA-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6w9c | DB06755 | Beta carotene | OENHQHLEOONYIE-JLTXGRSLSA-N | PL pro |
| -8.8 | 6crv | DB00328 | Indometacin | CGIGDMFJXJATDK-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB06460 | Enrasentan | GLCKXJLCYIJMRB-UPRLRBBYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB02799 | N-[2-(1-Maleimidyl)Ethyl]-7-Diethylaminocoumarin-3-Carboxamide | OJBZDUMTXGGVSP-KTKRTIGZSA-N | spike glycoprotein |
| -8.8 | 6crv | DB03202 | 2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide | JWSWTHSJMGVOKE-HNNXBMFYSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9c | DB07000 | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | ILXJWLWSYAWJKZ-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB08656 | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide | UVERBUNNCOKGNZ-CQSZACIVSA-N | nucleocapsid protein |
| -8.8 | 7bv1 | DB03126 | Mant-Adp | QPKUEBLEGWBRHC-BFHYXJOUSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB08659 | 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide | PPDLAUCFAOODER-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB03235 | N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide | UEIGEWJJVQHIAX-MKQKURRLSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB06985 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | MEAQCLPMSVEOQF-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB03213 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone | VVVXDHROXQUONB-UHFFFAOYSA-P | spike glycoprotein |
| -8.8 | 6lxt | DB01690 | Bis(Adenosine)-5'-Triphosphate | QCICUPZZLIQAPA-XPWFQUROSA-N | S2 unit |
| -8.8 | 6m2n | DB01471 | Bolasterone | IVFYLRMMHVYGJH-VLOLGRDOSA-N | 3CL pro |
| -8.8 | 6m3m | DB04362 | Adenosine Diphosphate 5-(Beta-Ethyl)-4-Methyl-Thiazole-2-Carboxylic Acid | VGXBGQACJQRWLV-LKGUXBDMSA-K | nucleocapsid protein |
| -8.8 | 6m3m | DB04371 | AL6528 | FBBLOSCXOZYUSS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB02766 | (3r)-3-{[(Benzyloxy)Carbonyl]Amino}-2-Oxo-4-Phenylbutane-1-Diazonium | VLIGBVLLNSWVMI-MRXNPFEDSA-O | spike glycoprotein |
| -8.8 | 6m3m | DB06472 | Fradafiban | IKZACQMAVUIGPY-HOTGVXAUSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB12066 | Orteronel | OZPFIJIOIVJZMN-SFHVURJKSA-N | spike glycoprotein |
| -8.8 | 6w9q | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 6w9c | DB06953 | 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE | JVWHVGIRXILXMU-XMMPIXPASA-N | PL pro |
| -8.8 | 6w9c | DB06972 | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | TZCXQSNBTXDAJG-QFIPXVFZSA-N | PL pro |
| -8.8 | 6vxs | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9q | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | nsp9 RNA-replicase |
| -8.8 | 6vxx | DB14066 | Tetrandrine | WVTKBKWTSCPRNU-KYJUHHDHSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB00591 | Fluocinolone acetonide | FEBLZLNTKCEFIT-VSXGLTOVSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB14889 | Derazantinib | KPJDVVCDVBFRMU-AREMUKBSSA-N | PL pro |
| -8.8 | 6w9c | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB14914 | Flortaucipir F-18 | GETAAWDSFUCLBS-SJPDSGJFSA-N | PL pro |
| -8.8 | 6w9c | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB14929 | Elsulfavirine | ULTDEARCBRNRGR-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB07701 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE | ADEBPBSSDYVVLD-HXUWFJFHSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB11778 | Danusertib | XKFTZKGMDDZMJI-HSZRJFAPSA-N | PL pro |
| -8.8 | 6w9c | DB14944 | Tarloxotinib | MUJMYVFVAWFUJL-SNAWJCMRSA-O | PL pro |
| -8.8 | 6w9c | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB15048 | Licogliflozin | XFJAMQQAAMJFGB-ZQGJOIPISA-N | PL pro |
| -8.8 | 6vxx | DB09371 | Norethynodrel | ICTXHFFSOAJUMG-SLHNCBLASA-N | spike glycoprotein |
| -8.8 | 6crv | DB14068 | Dexniguldipine | SVJMLYUFVDMUHP-MGBGTMOVSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB04754 | GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE | HYAPEMYRVFIHDJ-QWEIRQIHSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB07743 | S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE | VNGWUVBXUIDQTK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB12167 | LY-3023414 | ACCFLVVUVBJNGT-AWEZNQCLSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6cs2 | DB00984 | Nandrolone phenpropionate | UBWXUGDQUBIEIZ-QNTYDACNSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB15106 | Surufatinib | TTZSNFLLYPYKIL-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB15033 | Flortaucipir | GETAAWDSFUCLBS-UHFFFAOYSA-N | PL pro |
| -8.8 | 6vxs | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB04575 | Quinestrol | PWZUUYSISTUNDW-VAFBSOEGSA-N | 3CL pro |
| -8.8 | 6m3m | DB07665 | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | STHCHQXQLDMISY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB03696 | Lanosterol | CAHGCLMLTWQZNJ-BQNIITSRSA-N | 3CL pro |
| -8.8 | 6cs2 | DB13939 | RAD-140 | XMBUPPIEVAFYHO-KPZWWZAWSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB12055 | MK-0767 | ORZMUVMQJPGFOM-UHFFFAOYSA-N | PL pro |
| -8.8 | 6vxx | DB12388 | Evocalcet | RZNUIYPHQFXBAN-XLIONFOSSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB01264 | Darunavir | CJBJHOAVZSMMDJ-HEXNFIEUSA-N | 3CL pro |
| -8.8 | 6m2n | DB01148 | Flavoxate | SPIUTQOUKAMGCX-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w9c | DB11939 | Henagliflozin | HYTPDMFFHVZBOR-VNXMGFANSA-N | PL pro |
| -8.8 | 6w9c | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | PL pro |
| -8.8 | 6m3m | DB07676 | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one | CKLAPOFDFZKCPB-LBPRGKRZSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB12812 | Palomid 529 | YEAHTLOYHVWAKW-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 7bv1 | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB11922 | Danirixin | NGYNBSHYFOFVLS-LBPRGKRZSA-N | PL pro |
| -8.8 | 6m3m | DB07651 | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE | KPMMESISHWWXNM-ROUUACIJSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | S2 unit |
| -8.8 | 6crv | DB01674 | [2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid | AYMRQIHECFEMIQ-AYVTZFPOSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB14821 | Macozinone | BJDZBXGJNBMCAV-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB11893 | Avagacestat | XEAOPVUAMONVLA-QGZVFWFLSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB14854 | TC-6987 | UAKZGMMGIMKFMV-RBUKOAKNSA-N | PL pro |
| -8.8 | 6vxs | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB07649 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol | DIGGNILBPCEZIV-CVEARBPZSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB04726 | 7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE | KPDQZGKJTJRBGU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB07005 | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide | VZFTWWJAUZOJDH-MOPGFXCFSA-O | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB11478 | Zeranol | DWTTZBARDOXEAM-GXTWGEPZSA-N | PL pro |
| -8.8 | 6m2n | DB04725 | Licofelone | UAWXGRJVZSAUSZ-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w9c | DB09168 | 4-Phenylfentanyl | BXCJXJLHYMWMQU-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m2n | DB04750 | OREGON GREEN 488 CARBOXYLATE | BRJCLSQFZSHLRL-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB03496 | Alvocidib | BIIVYFLTOXDAOV-YVEFUNNKSA-N | 3CL pro |
| -8.8 | 6m3m | DB04873 | Piboserod | KVCSJPATKXABRQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB09050 | Ceftolozane | JHFNIHVVXRKLEF-DCZLAGFPSA-N | PL pro |
| -8.8 | 6w9c | DB09047 | Finafloxacin | FYMHQCNFKNMJAV-HOTGVXAUSA-N | PL pro |
| -8.8 | 6cs2 | DB12885 | CF-102 | IPSYPUKKXMNCNQ-PFHKOEEOSA-N | ACE2 area for S-protein binding |
| -8.8 | 6cs2 | DB00637 | Astemizole | GXDALQBWZGODGZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB08930 | Dolutegravir | RHWKPHLQXYSBKR-BMIGLBTASA-N | spike glycoprotein |
| -8.8 | 6w9c | DB04706 | (3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL | OYXZMSRRJOYLLO-KGZHIOMZSA-N | PL pro |
| -8.8 | 6w9c | DB05944 | Varlitinib | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | PL pro |
| -8.8 | 6m3m | DB07125 | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid | KKZYGUVAFJCULH-CYBMUJFWSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB08970 | Fluprednidene | YVHXHNGGPURVOS-SBTDHBFYSA-N | PL pro |
| -8.8 | 6crv | DB01053 | Benzylpenicillin | JGSARLDLIJGVTE-MBNYWOFBSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB00598 | Labetalol | SGUAFYQXFOLMHL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB01337 | Pancuronium | GVEAYVLWDAFXET-XGHATYIMSA-N | S2 unit |
| -8.8 | 6m3m | DB04715 | IMIDAZOPYRIDAZIN 1 | IVUBNTNWKIPCPS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB07839 | N-2-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | VFNWTXUFNNOQHD-QFIPXVFZSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB04716 | 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE | VNDWQCSOSCCWIP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB01605 | Pivmecillinam | NPGNOVNWUSPMDP-HLLBOEOZSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB04872 | Osanetant | DZOJBGLFWINFBF-UMSFTDKQSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB01120 | Gliclazide | BOVGTQGAOIONJV-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB07192 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE | MVPIURCUINFSAB-LBPRGKRZSA-N | nucleocapsid protein |
| -8.8 | 7bv1 | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB04626 | Apramycin | XZNUGFQTQHRASN-XQENGBIVSA-N | 3CL pro |
| -8.8 | 6w9c | DB11457 | Rotenone | JUVIOZPCNVVQFO-HBGVWJBISA-N | PL pro |
| -8.8 | 6m2n | DB01319 | Fosamprenavir | MLBVMOWEQCZNCC-OEMFJLHTSA-N | 3CL pro |
| -8.8 | 6vxx | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB01108 | Trilostane | KVJXBPDAXMEYOA-CXANFOAXSA-N | 3CL pro |
| -8.8 | 6w9c | DB11371 | Alfaxalone | DUHUCHOQIDJXAT-OLVMNOGESA-N | PL pro |
| -8.8 | 6w9c | DB11263 | Polydatin | HSTZMXCBWJGKHG-CUYWLFDKSA-N | PL pro |
| -8.8 | 6vxs | DB07422 | (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | MMNRWNREMUMYQG-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6cs2 | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB14675 | Temsavir | QRPZBKAMSFHVRW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6cs2 | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB09383 | Meprednisone | PIDANAQULIKBQS-RNUIGHNZSA-N | PL pro |
| -8.8 | 6vxx | DB12480 | Betulinic Acid | QGJZLNKBHJESQX-FZFNOLFKSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB15424 | Bfpet F-18 | QWPLCHDPESWJRN-FNNGWQQSSA-N | PL pro |
| -8.8 | 6w9c | DB15446 | Vidofludimus | XPRDUGXOWVXZLL-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB09268 | Picosulfuric acid | UJIDKYTZIQTXPM-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB12066 | Orteronel | OZPFIJIOIVJZMN-SFHVURJKSA-N | PL pro |
| -8.8 | 6w9c | DB08927 | Amperozide | NNAIYOXJNVGUOM-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB07643 | 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | XVLUVRFYGVJKGJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB07578 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE | WUOLYUKMMRCXGH-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB01503 | 1-Androstenediol | RZFGPAMUAXASRE-YSZCXEEOSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB07778 | FAMOXADONE | PCCSBWNGDMYFCW-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB01339 | Vecuronium | BGSZAXLLHYERSY-XQIGCQGXSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB11730 | Ribociclib | RHXHGRAEPCAFML-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6cs2 | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxs | DB07643 | 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | XVLUVRFYGVJKGJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9c | DB13710 | Metenolone | ANJQEDFWRSLVBR-VHUDCFPWSA-N | PL pro |
| -8.8 | 6crv | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | spike glycoprotein |
| -8.8 | 6crv | DB01327 | Cefazolin | MLYYVTUWGNIJIB-BXKDBHETSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB01319 | Fosamprenavir | MLBVMOWEQCZNCC-OEMFJLHTSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB13857 | Demegestone | JWAHBTQSSMYISL-MHTWAQMVSA-N | PL pro |
| -8.8 | 6w9c | DB12808 | Trifarotene | MFBCDACCJCDGBA-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB12806 | GSK-1004723 | YANGEESWIGIKOP-UUWRZZSWSA-N | PL pro |
| -8.8 | 6crv | DB01531 | Desomorphine | LNNWVNGFPYWNQE-GMIGKAJZSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB01569 | Formebolone | AMVODTGMYSRMNP-GNIMZFFESA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB07559 | (2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide | DDSLONVJHZPSBB-UVTDQMKNSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6w9c | DB12745 | GSK-690693 | KGPGFQWBCSZGEL-ZDUSSCGKSA-N | PL pro |
| -8.8 | 6vxs | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB01252 | Mitiglinide | WPGGHFDDFPHPOB-BBWFWOEESA-N | spike glycoprotein |
| -8.8 | 6crv | DB01532 | ??-Methylacetylfentanyl | OKTLVZBUKMRPLL-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB08861 | DPDPE | MCMMCRYPQBNCPH-WMIMKTLMSA-N | S2 unit |
| -8.8 | 6w9c | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB01453 | Beta-hydroxyfentanyl | JEFVHLMGRUJLET-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB13308 | Oxametacin | AJRNYCDWNITGHF-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB01426 | Ajmaline | CJDRUOGAGYHKKD-HEFSZTOGSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB13252 | Tropatepine | JOQKFRLFXDPXHX-HDICACEKSA-N | PL pro |
| -8.8 | 6w9q | DB14773 | Lifirafenib | NGFFVZQXSRKHBM-FKBYEOEOSA-N | nsp9 RNA-replicase |
| -8.8 | 6w9c | DB13212 | Phenolsulfonphthalein | BELBBZDIHDAJOR-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB13491 | Fluperolone | SLVCCRYLKTYUQP-DVTGEIKXSA-N | PL pro |
| -8.8 | 6m3m | DB01570 | Ohmefentanyl | FRPRNNRJTCONEC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | spike glycoprotein |
| -8.8 | 6crv | DB01348 | Spirapril | HRWCVUIFMSZDJS-SZMVWBNQSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB08097 | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE | OGWSGDLIXOEZJG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB04014 | Alsterpaullone | OLUKILHGKRVDCT-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 7bv1 | DB04623 | 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | CGBRFCVAMLJVEA-ZGURCIGKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB13552 | Trifluperidol | GPMXUUPHFNMNDH-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB13158 | Clobetasone | XXIFVOHLGBURIG-OZCCCYNHSA-N | PL pro |
| -8.8 | 6m3m | DB00377 | Palonosetron | CPZBLNMUGSZIPR-NVXWUHKLSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB13941 | Piperaquine | UCRHFBCYFMIWHC-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB11901 | Apalutamide | HJBWBFZLDZWPHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB13606 | Phenazocine | ZQHYKVKNPWDQSL-KNXBSLHKSA-N | PL pro |
| -8.8 | 6crv | DB01497 | Etorphine | CAHCBJPUTCKATP-HBDRVVKHSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB13126 | BMS-986115 | SRJNRAQUSAVENA-GSHUGGBRSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB01536 | Androstenedione | AEMFNILZOJDQLW-QAGGRKNESA-N | spike glycoprotein |
| -8.8 | 6crv | DB01234 | Dexamethasone | UREBDLICKHMUKA-CXSFZGCWSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB04834 | Rapacuronium | HTIKWNNIPGXLGM-YLINKJIISA-N | nucleocapsid protein |
| -8.8 | 7bv1 | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB01588 | Prazepam | MWQCHHACWWAQLJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | PL pro |
| -8.8 | 6m2n | DB04348 | Taurocholic Acid | WBWWGRHZICKQGZ-HZAMXZRMSA-N | 3CL pro |
| -8.8 | 6cs2 | DB13022 | LY-2874455 | GKJCVYLDJWTWQU-CXLRFSCWSA-N | ACE2 area for S-protein binding |
| -8.8 | 6lzg | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w9c | DB14649 | Dexamethasone acetate | AKUJBENLRBOFTD-RPRRAYFGSA-N | PL pro |
| -8.8 | 6vxx | DB12009 | GW-406381 | NXMZBNYLCVTRGB-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB14652 | Clocortolone acetate | ARPLCFGLEYFDCN-CDACMRRYSA-N | PL pro |
| -8.8 | 6crv | DB13856 | Fluclorolone | VTWKPILBIUBMDS-OTJLYDAYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB13016 | LY-2300559 | DWQVYDLTPMGYNE-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB12364 | Betrixaban | XHOLNRLADUSQLD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB04761 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE] | NHPBWKYFMTXWAA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB12116 | Epigallocatechin gallate | WMBWREPUVVBILR-WIYYLYMNSA-N | PL pro |
| -8.8 | 6w9c | DB12115 | AZD-9164 | FNYFFCOCVNTJCD-NNMXADRKSA-N | PL pro |
| -8.8 | 6w9c | DB12114 | Poziotinib | LPFWVDIFUFFKJU-UHFFFAOYSA-N | PL pro |
| -8.8 | 6cs2 | DB13941 | Piperaquine | UCRHFBCYFMIWHC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxs | DB04098 | Balanol | XYUFCXJZFZPEJD-PGRDOPGGSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9c | DB12206 | N-6022 | YVPGZQLRPAGKLA-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | PL pro |
| -8.8 | 6w9c | DB14569 | Tedizolid | XFALPSLJIHVRKE-GFCCVEGCSA-N | PL pro |
| -8.8 | 6w9c | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | PL pro |
| -8.8 | 6m3m | DB07311 | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE | JRSWWYITYIOHOP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB07300 | 2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine | QSSGYSRUMIOURP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB00445 | Epirubicin | AOJJSUZBOXZQNB-VTZDEGQISA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB12720 | Nivocasan | VYFGDLGHHBUDTQ-ZLGUVYLKSA-N | S2 unit |
| -8.8 | 6m3m | DB07511 | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile | MVYDBJXCIFMINH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB01554 | Bolandiol | CMXKUJNZWYTFJN-XFUVECHXSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB07550 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | ZIGSBBKEPNQXRG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9c | DB12597 | ABL-001 | VOVZXURTCKPRDQ-CQSZACIVSA-N | PL pro |
| -8.8 | 6m3m | DB04845 | Ixabepilone | FABUFPQFXZVHFB-PVYNADRNSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB01562 | 1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine | BVURVTVDNWSNFN-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB12426 | Bitopertin | YUUGYIUSCYNSQR-LBPRGKRZSA-N | PL pro |
| -8.8 | 6crv | DB01195 | Flecainide | DJBNUMBKLMJRSA-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB04301 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate | ZLAHDRAQCSQPOC-UHFFFAOYSA-P | 3CL pro |
| -8.8 | 7bv1 | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB12404 | Remimazolam | CYHWMBVXXDIZNZ-KRWDZBQOSA-N | PL pro |
| -8.8 | 6vxs | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB03768 | N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3 | WRUVOSYKHXGAQN-GKRYNVPLSA-N | 3CL pro |
| -8.8 | 6crv | DB11909 | Varespladib | BHLXTPHDSZUFHR-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB14545 | Hydrocortisone succinate | VWQWXZAWFPZJDA-CGVGKPPMSA-N | PL pro |
| -8.8 | 6m3m | DB07268 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE | QHPKKGUGRGRSGA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB11963 | Dacomitinib | LVXJQMNHJWSHET-AATRIKPKSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB07242 | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | XGUIMGJMQKZRGM-LLVKDONJSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB00656 | Trazodone | PHLBKPHSAVXXEF-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB08903 | Bedaquiline | QUIJNHUBAXPXFS-XLJNKUFUSA-N | PL pro |
| -8.8 | 6m3m | DB01554 | Bolandiol | CMXKUJNZWYTFJN-XFUVECHXSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB07941 | PH-797804 | KCAJXIDMCNPGHZ-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB08230 | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | ARSRJFRKVXALTF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB08448 | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol | PCBWLKUEKANDCL-INIZCTEOSA-N | S2 unit |
| -8.8 | 6m2n | DB03041 | UDP-alpha-D-glucuronic acid | HDYANYHVCAPMJV-LXQIFKJMSA-N | 3CL pro |
| -8.8 | 6crv | DB00875 | Flupentixol | NJMYODHXAKYRHW-DVZOWYKESA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB08268 | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | SPVJRTJUEVXOMS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB08270 | N-(2-AMINOETHYL)-N-2-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE | QPXXBNKMAHUXBB-PMACEKPBSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB05107 | 16-Bromoepiandrosterone | CWVMWSZEMZOUPC-JUAXIXHSSA-N | 3CL pro |
| -8.8 | 6lxt | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | S2 unit |
| -8.8 | 6m3m | DB08300 | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | UOKGZPYGRJDACN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxs | DB07078 | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE | AYSXURJZVXBSRV-WJDWOHSUSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB05212 | HE3286 | JJKOQZHWYLMASZ-FJWDNACWSA-N | 3CL pro |
| -8.8 | 6w9c | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB00839 | Tolazamide | OUDSBRTVNLOZBN-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB00589 | Lisuride | BKRGVLQUQGGVSM-KBXCAEBGSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB07649 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol | DIGGNILBPCEZIV-CVEARBPZSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB13129 | Trimegestone | JUNDJWOLDSCTFK-MTZCLOFQSA-N | 3CL pro |
| -8.8 | 6vxs | DB04850 | Posizolid | HBUJYEUPIIJJOS-PBHICJAKSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB14512 | Mometasone furoate | WOFMFGQZHJDGCX-ZULDAHANSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB04582 | IMAZAQUIN | CABMTIJINOIHOD-QGZVFWFLSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB00186 | Lorazepam | DIWRORZWFLOCLC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB03069 | Cytidine-5'-Diphospho-Beta-D-Xylose | NWSKPSPTJOAICE-OCIMBMBZSA-N | 3CL pro |
| -8.8 | 6cs2 | DB14541 | Hydrocortisone cypionate | DLVOSEUFIRPIRM-KAQKJVHQSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB01644 | 3,6-dihydroxy-xanthene-9-propionic acid | PFQGLFBMMPZYEU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB08148 | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine | QOZMRRGNAZNWDN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB13471 | Nalfurafine | XGZZHZMWIXFATA-UEZBDDGYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB00699 | Nicergoline | YSEXMKHXIOCEJA-FVFQAYNVSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB08097 | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE | OGWSGDLIXOEZJG-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB13708 | Fenquizone | DBDTUXMDTSTPQZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB00923 | Ceforanide | SLAYUXIURFNXPG-CRAIPNDOSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | PL pro |
| -8.8 | 6cs2 | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m71 | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB00913 | Anileridine | LKYQLAWMNBFNJT-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB04624 | DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME) | SIHNJMGWRHPFAZ-XHDPSFHLSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB02255 | GM6001 | NITYDPDXAAFEIT-DYVFJYSZSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB08039 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | LOGJQOUIVKBFGH-YBEGLDIGSA-N | PL pro |
| -8.8 | 6lxt | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | S2 unit |
| -8.8 | 6w9c | DB08003 | ISOTHIAZOLIDINONE ANALOG | UILYPHAKDBTKQV-UFYCRDLUSA-N | PL pro |
| -8.8 | 6vxs | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB00906 | Tiagabine | PBJUNZJWGZTSKL-MRXNPFEDSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB03084 | Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | XCTKFTOEAKJMII-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 7bv1 | DB15145 | Ziresovir | GAAICKUTDBZCMT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB02873 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One | YAWZIQKDHQIHOS-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w9q | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | nsp9 RNA-replicase |
| -8.8 | 6w9c | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | PL pro |
| -8.8 | 6vxx | DB13991 | Pipequaline | AMEWZCMTSIONOX-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB07679 | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid | RRAAROKJUVKWAF-RDJZCZTQSA-N | PL pro |
| -8.8 | 7bv1 | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m71 | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB08389 | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UPTQSRGSSJRBKJ-LJQANCHMSA-N | S2 unit |
| -8.8 | 6m3m | DB08382 | Gosogliptin | QWEWGXUTRTXFRF-KBPBESRZSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB07665 | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | STHCHQXQLDMISY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB12567 | Camicinal | RZKDEGZIFSJVNA-IBGZPJMESA-N | 3CL pro |
| -8.8 | 6w9c | DB07665 | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | STHCHQXQLDMISY-UHFFFAOYSA-N | PL pro |
| -8.8 | 6vxx | DB06865 | 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID | ZSRRBAKATXAISL-LMNJBCLMSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB00683 | Midazolam | DDLIGBOFAVUZHB-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB07584 | N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | OKGCSZUKOGMZAL-UHFFFAOYSA-N | PL pro |
| -8.8 | 6cs2 | DB00203 | Sildenafil | BNRNXUUZRGQAQC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB07578 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE | WUOLYUKMMRCXGH-UHFFFAOYSA-N | PL pro |
| -8.8 | 6vxx | DB14054 | Asiatic acid | JXSVIVRDWWRQRT-UYDOISQJSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB00670 | Pirenzepine | RMHMFHUVIITRHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB11793 | Niraparib | PCHKPVIQAHNQLW-CQSZACIVSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB07692 | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine | SHWNKRPMUBFWKE-UHFFFAOYSA-N | PL pro |
| -8.8 | 6cs2 | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB00704 | Naltrexone | DQCKKXVULJGBQN-XFWGSAIBSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB13135 | AGN-201904 | PPCGSVWOZKNPCX-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB00776 | Oxcarbazepine | CTRLABGOLIVAIY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB06858 | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | MMLOIDMSBRJZAE-FQEVSTJZSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB07786 | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | SMFRBBHLVBWHGB-DJJJIMSYSA-N | PL pro |
| -8.8 | 6m2n | DB02834 | IDD552 | ZCAGEXZTORJQDZ-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxs | DB08423 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | QKZZJXRGCHXIAI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB12574 | LY-295501 | VAMFSFIPDOODFH-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB04957 | Azimilide | MREBEPTUUMTTIA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB12218 | AZD-5363 | JDUBGYFRJFOXQC-KRWDZBQOSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB07778 | FAMOXADONE | PCCSBWNGDMYFCW-QFIPXVFZSA-N | PL pro |
| -8.8 | 6vxs | DB04859 | Zanapezil | PMBLXLOXUGVTGB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | 3CL pro |
| -8.8 | 6m71 | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB02804 | A-98881 | PMBZSBGCSQGJAQ-GRKNLSHJSA-N | 3CL pro |
| -8.8 | 6crv | DB00712 | Flurbiprofen | SYTBZMRGLBWNTM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9q | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.8 | 6w9c | DB07729 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | GAKOBKPDJJGRIL-UHFFFAOYSA-N | PL pro |
| -8.8 | 7bv1 | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB08138 | {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | BDRDBXXWQDFXEC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 7bv1 | DB05016 | Ataluren | OOUGLTULBSNHNF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lzg | DB06755 | Beta carotene | OENHQHLEOONYIE-JLTXGRSLSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 7bv1 | DB14844 | ONC-201 | VLULRUCCHYVXOH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB08707 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine | AQVFETGXIRKVAQ-UHFFFAOYSA-N | PL pro |
| -8.8 | 6vxs | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB04853 | Binodenoson | XJFMHMFFBSOEPR-DNZQAUTHSA-N | 3CL pro |
| -8.8 | 6w9c | DB12025 | Triptolide | DFBIRQPKNDILPW-CIVMWXNOSA-N | PL pro |
| -8.8 | 6m3m | DB04696 | 4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN | GFGZCXHXQCQRFP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB06420 | Annamycin | CIDNKDMVSINJCG-GKXONYSUSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB03351 | Sri-9439 | KMSATRJZEXNGDP-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB01624 | Zuclopenthixol | WFPIAZLQTJBIFN-DVZOWYKESA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB04867 | Lintitript | ILNRQFBVVQUOLP-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxs | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB07074 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER | OUBRALHIKGRAMA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB07070 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid | BDLLIPYDNFENMY-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB08657 | 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID | SSXCWVOQWRUMGN-UHFFFAOYSA-N | PL pro |
| -8.8 | 6crv | DB11864 | Preladenant | DTYWJKSSUANMHD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB07065 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine | AHPKUZJCNHGFQA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB08820 | Ivacaftor | PURKAOJPTOLRMP-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lzg | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w9c | DB12540 | Lecozotan | NRPQELCNMADTOZ-OAQYLSRUSA-N | PL pro |
| -8.8 | 6cs2 | DB07607 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | RXDZANYWRNIAOR-HHHXNRCGSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB01976 | Aminoanthracene | YUENFNPLGJCNRB-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB01089 | Deserpidine | CVBMAZKKCSYWQR-WCGOZPBSSA-N | S2 unit |
| -8.8 | 6m3m | DB07982 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol | PVTKDXZNSUHUMO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB12006 | BMS-906024 | AYOUDDAETNMCBW-GSHUGGBRSA-N | PL pro |
| -8.8 | 6m3m | DB00844 | Nalbuphine | NETZHAKZCGBWSS-CEDHKZHLSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB12904 | ZSTK-474 | HGVNLRPZOWWDKD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB06833 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE | MMIJMYOYKAKQPN-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB07874 | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | LQOCXPOKEPYGTJ-IBGZPJMESA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB07616 | 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid | LKZZDHKJFDTYCH-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB08861 | DPDPE | MCMMCRYPQBNCPH-WMIMKTLMSA-N | PL pro |
| -8.8 | 6vxs | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w9c | DB06848 | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine | VCUDZTCDUDDJGG-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB07909 | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL | OBWILOKKNDYPLX-HBMCJLEFSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB12949 | PF-03382792 | AGMOFKKOVMRGAK-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB14127 | Sacubitrilat | DOBNVUFHFMVMDB-BEFAXECRSA-N | spike glycoprotein |
| -8.8 | 6crv | DB01041 | Thalidomide | UEJJHQNACJXSKW-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB12858 | LY-377604 | RBSGUQYXRDKPAE-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB12135 | Elubrixin | YQYFEGTYCUQBEI-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB04839 | Cyproterone acetate | UWFYSQMTEOIJJG-FDTZYFLXSA-N | 3CL pro |
| -8.8 | 6cs2 | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB04841 | Flunarizine | SMANXXCATUTDDT-QPJJXVBHSA-N | 3CL pro |
| -8.8 | 6m2n | DB01328 | Cefonicid | DYAIAHUQIPBDIP-AXAPSJFSSA-N | 3CL pro |
| -8.8 | 6w9c | DB11990 | MK-0812 | UNVWTBOGMHPKJM-CWKRKGSWSA-N | PL pro |
| -8.8 | 6w9c | DB08715 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL | SLPKYEWAKMNCPT-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m2n | DB04824 | Phenolphthalein | KJFMBFZCATUALV-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6cs2 | DB06367 | Relacatib | BWYBBMQLUKXECQ-GIVPXCGWSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB07987 | [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | AWAKNMKLVLWIIQ-OAHLLOKOSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB12665 | Isoquercetin | OVSQVDMCBVZWGM-QSOFNFLRSA-N | S2 unit |
| -8.8 | 6vxs | DB07204 | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE | DQIXTEDFNFZMCM-SFHVURJKSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m71 | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB15250 | Vercirnon | JRWROCIMSDXGOZ-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m2n | DB12888 | Ezutromid | KSGCNXAZROJSNW-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m71 | DB12480 | Betulinic Acid | QGJZLNKBHJESQX-FZFNOLFKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB00705 | Delavirdine | WHBIGIKBNXZKFE-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6crv | DB13767 | Vorozole | XLMPPFTZALNBFS-INIZCTEOSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | PL pro |
| -8.8 | 6m3m | DB08073 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | YWTBGJGMTBHQTM-IBGZPJMESA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB00231 | Temazepam | SEQDDYPDSLOBDC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB15275 | GDC-0077 | SGEUNORSOZVTOL-CABZTGNLSA-N | PL pro |
| -8.8 | 6vxx | DB07154 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE | SWKGZJAAGSVROJ-MWLCHTKSSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB00875 | Flupentixol | NJMYODHXAKYRHW-DVZOWYKESA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB06237 | Avanafil | WEAJZXNPAWBCOA-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB09070 | Tibolone | WZDGZWOAQTVYBX-XOINTXKNSA-N | S2 unit |
| -8.8 | 6w9c | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | PL pro |
| -8.8 | 6cs2 | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | OWXORKPNCHJYOF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB00700 | Eplerenone | JUKPWJGBANNWMW-VWBFHTRKSA-N | S2 unit |
| -8.8 | 6m2n | DB01342 | Forasartan | YONOBYIBNBCDSJ-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6lxt | DB01047 | Fluocinonide | WJOHZNCJWYWUJD-IUGZLZTKSA-N | S2 unit |
| -8.8 | 6m3m | DB00554 | Piroxicam | QYSPLQLAKJAUJT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB13046 | Tocladesine | CLLFEJLEDNXZNR-UUOKFMHZSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB08423 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | QKZZJXRGCHXIAI-UHFFFAOYSA-N | PL pro |
| -8.8 | 6lzg | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w9c | DB13023 | IPI-493 | XYFFWTYOFPSZRM-TWNAANEASA-N | PL pro |
| -8.8 | 6w9c | DB08560 | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE | GULUFDCOGAXLEP-UHFFFAOYSA-N | PL pro |
| -8.8 | 6w9c | DB13024 | MK-8245 | UJEAABFSXKCSGI-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB07039 | (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | RXSZCFAPSDTELY-SFHVURJKSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB08001 | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID | DQSRCEFDWMQCCV-GQCTYLIASA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB12817 | Zoliflodacin | ZSWMIFNWDQEXDT-ZESJGQACSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB13062 | ME-344 | QVCAATSEPLQVBX-FPOVZHCZSA-N | PL pro |
| -8.8 | 6w9c | DB13074 | Macimorelin | UJVDJAPJQWZRFR-DHIUTWEWSA-N | PL pro |
| -8.8 | 7bv1 | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lzg | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w9c | DB08498 | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | OVSAMUIBGQSLDC-INIZCTEOSA-N | PL pro |
| -8.8 | 6w9c | DB08497 | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | NKBDSMREMMRFSI-INIZCTEOSA-N | PL pro |
| -8.8 | 6crv | DB14210 | Moexiprilat | CMPAGYDKASJORH-YSSFQJQWSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB12808 | Trifarotene | MFBCDACCJCDGBA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6cs2 | DB12805 | Ataciguat | PQHLRGARXNPFCF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB12204 | Terbogrel | XUTLOCQNGLJNSA-RGVLZGJSSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB08459 | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | SVMHTBVIPYVDIL-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m2n | DB03213 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone | VVVXDHROXQUONB-UHFFFAOYSA-P | 3CL pro |
| -8.8 | 6m3m | DB08051 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | XXRHRPGYYNOBHO-QGZVFWFLSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB08499 | N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | DQXBKUVWJSZHSI-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB06673 | Almorexant | DKMACHNQISHMDN-RPLLCQBOSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB00687 | Fludrocortisone | AAXVEMMRQDVLJB-BULBTXNYSA-N | PL pro |
| -8.8 | 6m2n | DB06732 | beta-Naphthoflavone | OUGIDAPQYNCXRA-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB08916 | Afatinib | ULXXDDBFHOBEHA-CWDCEQMOSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB03593 | N7-Methyl-Guanosine-5'-Monophosphate | AOKQNZVJJXPUQA-KQYNXXCUSA-O | spike glycoprotein |
| -8.8 | 6lzg | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6vxx | DB06932 | 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine | NVINUNQBDNEMSY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB14661 | Loperamide oxide | KXVSBTJVTUVNPM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB14673 | Flurandrenolide acetate | AUDPKCCPWYXNEV-XTLNBZDDSA-N | 3CL pro |
| -8.8 | 7bv1 | DB07265 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID | JDARUOOLJCFUOY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB02170 | 1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One | ZOHCDJRFYXKEQW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6lzg | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6m71 | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB07249 | N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine | QHIMVPIOWKYPSO-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB06954 | 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate | BIASYWBGUYOWJR-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB08975 | Florantyrone | QOBAOSCOLAGPKI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m71 | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | S2 unit |
| -8.8 | 6m3m | DB14914 | Flortaucipir F-18 | GETAAWDSFUCLBS-SJPDSGJFSA-N | nucleocapsid protein |
| -8.8 | 6lzg | DB00137 | Lutein | KBPHJBAIARWVSC-RGZFRNHPSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6lxt | DB11934 | Epelsiban | UWHCWRQFNKUYCG-QUZACWSFSA-N | S2 unit |
| -8.8 | 6w4h | DB01933 | 7-Hydroxystaurosporine | PBCZSGKMGDDXIJ-HQCWYSJUSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB14917 | Ceralasertib | DTTJKLNXNZAVSM-JYCIKRDWSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB02181 | 2'-Deoxyguanosine-5'-Triphosphate | HAAZLUGHYHWQIW-KVQBGUIXSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | nsp16 - nsp10 |
| -8.8 | 7bv1 | DB07039 | (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | RXSZCFAPSDTELY-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4h | DB01830 | {4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid | SPSGYTWOIGAABK-DQEYMECFSA-N | nsp16 - nsp10 |
| -8.8 | 6vxs | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB02187 | Equilin | WKRLQDKEXYKHJB-HFTRVMKXSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB01763 | 7-thionicotinamide-adenine-dinucleotide phosphate | OJNFDOAQUXJWED-NNYOXOHSSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB02164 | N-Sulfo-Flavin Mononucleotide | ZLPUGFBBLGQWBS-SCRDCRAPSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB03368 | 5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione | RTBMLCLTYAPKIF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB07206 | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE | OSHSZKRWKLQZBV-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB02732 | Nicotinamide Adenine Dinucleotide Acetone Adduct | SGHBFOOIAAJJMI-YDKVLQLQSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB03632 | Argifin | UHBHXSDKGLPPGO-HTDHLNIYSA-N | nsp16 - nsp10 |
| -8.8 | 6m2n | DB08355 | 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid | ZOBRPBVIEUWYJR-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB08361 | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide | NZNTWOVDIXCHHS-LSDHHAIUSA-N | 3CL pro |
| -8.8 | 6crv | DB07123 | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | DVOLWKZEIDCCES-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lzg | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6lzg | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6m3m | DB02140 | N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide | ZPFPZRVOBBMZMP-SFHVURJKSA-N | nucleocapsid protein |
| -8.8 | 6lzg | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6crv | DB12796 | MRX-I | SULYVXZZUMRQAX-NSHDSACASA-N | spike glycoprotein |
| -8.8 | 6w4h | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB14678 | Norethindrone enanthate | APTGJECXMIKIET-WOSSHHRXSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB06620 | Aplindore | DYJIKHYBKVODAC-ZDUSSCGKSA-N | spike glycoprotein |
| -8.8 | 6lzg | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6crv | DB07154 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE | SWKGZJAAGSVROJ-MWLCHTKSSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB07022 | 3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate | PXERBGNIBOFZOW-UHFFFAOYSA-N | S2 unit |
| -8.8 | 7bv1 | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4h | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | nsp16 - nsp10 |
| -8.8 | 6cs2 | DB15431 | M-2698 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxs | DB14218 | Telotristat | NCLGDOBQAWBXRA-PGRDOPGGSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB14761 | Remdesivir | RWWYLEGWBNMMLJ-YSOARWBDSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB12082 | Vesnarinone | ZVNYJIZDIRKMBF-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6cs2 | DB03572 | FR230513 | URGFTPMACWKJKU-OAHLLOKOSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w4h | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB03451 | 1-alpha, 25-dihydroxyl-20-epi-22-oxa-24, 26 ,27-trihomovitamin D3 | KLZOTDOJMRMLDX-YBBVPDDNSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB14679 | Quingestanol acetate | FLGJKPPXEKYCBY-AKCFYGDASA-N | 3CL pro |
| -8.8 | 6m3m | DB14801 | Lanifibranor | OQDQIFQRNZIEEJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB08495 | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | VXONTEUOQXFJJS-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB08498 | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | OVSAMUIBGQSLDC-INIZCTEOSA-N | 3CL pro |
| -8.8 | 6m2n | DB08499 | N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | DQXBKUVWJSZHSI-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB15219 | Tomivosertib | HKTBYUWLRDZAJK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB12046 | Atopaxar | QWKAUGRRIXBIPO-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 7bv1 | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB15222 | GS-6620 | YAAQYJCOIFNMKX-RSTNYOGXSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB07115 | N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide | IPPUTOHDQOYDIL-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w4b | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6m3m | DB15241 | Methylsamidorphan | ATCVVCBJNHXIEX-ZAHKBLQYSA-O | nucleocapsid protein |
| -8.8 | 6w4b | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | nsp9 |
| -8.8 | 6m3m | DB15261 | Butafenacil | JEDYYFXHPAIBGR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB12041 | Mapracorat | VJGFOYBQOIPQFY-XMMPIXPASA-N | 3CL pro |
| -8.8 | 6w4b | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6w4b | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | nsp9 |
| -8.8 | 7bv1 | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB08865 | Crizotinib | KTEIFNKAUNYNJU-GFCCVEGCSA-N | spike glycoprotein |
| -8.8 | 6crv | DB07534 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | BKUMVXIXUVYKDQ-GHXNOFRVSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | nucleocapsid protein |
| -8.8 | 6w4b | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6m2n | DB12022 | Evatanepag | WOHRHWDYFNWPNG-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6lxt | DB15191 | MAX-40279 | AVIOBQFPAGEICQ-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6m71 | DB06985 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | MEAQCLPMSVEOQF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lzg | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6vxx | DB07319 | 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE | RXSSKAZHCZWJPP-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB01026 | Ketoconazole | XMAYWYJOQHXEEK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB02255 | GM6001 | NITYDPDXAAFEIT-DYVFJYSZSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxx | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB08597 | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | XHBVYDAKJHETMP-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | YBKLJTXDSBEVRV-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB12399 | Polmacoxib | IJWPAFMIFNSIGD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB08500 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | ZCJBDRSKHARECB-PYTCMNEWSA-N | 3CL pro |
| -8.8 | 6cs2 | DB08095 | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA | ZWYFTKPEHRQCCW-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB07008 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | XPXGYINSBORUMM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB07288 | N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide | GGPZCOONYBPZEW-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB08504 | 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM | ZNHVIJAGMFQGMS-IHPCNDPISA-N | 3CL pro |
| -8.8 | 6m3m | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6w4h | DB01337 | Pancuronium | GVEAYVLWDAFXET-XGHATYIMSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB15033 | Flortaucipir | GETAAWDSFUCLBS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB00180 | Flunisolide | XSFJVAJPIHIPKU-XWCQMRHXSA-N | S2 unit |
| -8.8 | 6w4h | DB01289 | Glisoxepide | ZKUDBRCEOBOWLF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxs | DB01328 | Cefonicid | DYAIAHUQIPBDIP-AXAPSJFSSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxs | DB14774 | Balipodect | KVHRYLNQDWXAGI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB15047 | BMS-919373 | XGKULQQVQWCASY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxs | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6cs2 | DB03446 | N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide | FSMWGHKWKYCPKE-QTVCLEQKSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w4h | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB07324 | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE | ZUJWSOPIDUWELP-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB08519 | N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | SQQAPOSROFWHIB-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxs | DB01177 | Idarubicin | XDXDZDZNSLXDNA-TZNDIEGXSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxx | DB07058 | 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione | QBVJMUOTMRYUKR-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB08927 | Amperozide | NNAIYOXJNVGUOM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m71 | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB14866 | Amcasertib | QDWKGEFGLQMDAM-ULJHMMPZSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6lzg | DB00932 | Tipranavir | SUJUHGSWHZTSEU-FYBSXPHGSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6cs2 | DB08950 | Indoramin | JXZZEXZZKAWDSP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB12379 | Indirubin | CRDNMYFJWFXOCH-BUHFOSPRSA-N | spike glycoprotein |
| -8.8 | 6crv | DB12802 | Picropodophyllin | YJGVMLPVUAXIQN-HAEOHBJNSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB08339 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | ZIQFYVPVJZEOFS-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB13616 | Melagatran | DKWNMCUOEDMMIN-PKOBYXMFSA-N | nucleocapsid protein |
| -8.8 | 7bv1 | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4h | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | nsp16 - nsp10 |
| -8.8 | 6m2n | DB08011 | (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime | DXIHOIDYHQSQKJ-HMMYKYKNSA-N | 3CL pro |
| -8.8 | 6w4h | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB04891 | Becocalcidiol | QSLUXQQUPXBIHH-YHSKWIAJSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB12149 | S-3304 | YWCLDDLVLSQGSZ-JOCHJYFZSA-N | 3CL pro |
| -8.8 | 6w4h | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB07140 | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | JPENSYBRTSIYGO-AWEZNQCLSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB12962 | CP-547632 | HXHAJRMTJXHJJZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB08022 | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile | RCYPVQCPYKNSTG-OAHLLOKOSA-N | 3CL pro |
| -8.8 | 6lxt | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | S2 unit |
| -8.8 | 6crv | DB06849 | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine | RQWYWHUKHYFIPB-VQHVLOKHSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB08042 | N-4-methyl-N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | FLXGQDHYCWXTAI-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w4h | DB07008 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | XPXGYINSBORUMM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxs | DB13094 | Pruvanserin | AQRLDDAFYYAIJP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w4h | DB06995 | N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide | USBSTVPJNQLYEM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB05039 | Indacaterol | QZZUEBNBZAPZLX-QFIPXVFZSA-N | spike glycoprotein |
| -8.8 | 6crv | DB12938 | Isoxaflutole | OYIKARCXOQLFHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB03788 | GC-24 | JYHIGYLGYNCMGI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w4h | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxs | DB01459 | Bezitramide | FLKWNFFCSSJANB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w4h | DB06747 | ginkgolide-M | KDKROYXEHCYLJQ-FJFAJXJPSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB08979 | Fenspiride | FVNFBBAOMBJTST-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB06771 | Besifloxacin | QFFGVLORLPOAEC-SNVBAGLBSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB07268 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE | QHPKKGUGRGRSGA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB07274 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide | ZATGFXTWDKIEKC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB04716 | 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE | VNDWQCSOSCCWIP-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07882 | 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID | VFIZFTGABDUGCF-UPVHCHBVSA-N | 3CL pro |
| -8.8 | 6crv | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB13004 | Mavoglurant | ZFPZEYHRWGMJCV-ZHALLVOQSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6lxt | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6w4h | DB07765 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | UKCFUFHREWUXJJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB13403 | Oxypertine | XCWPUUGSGHNIDZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB06622 | 7-beta-Hydroxyepiandrosterone | VFPMCLQMAUVEHD-UCPSWNCLSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w4h | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB04793 | 1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol | DKBAWRNTUZFJKV-XMTFNYHQSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6w4h | DB06741 | Gavestinel | WZBNEZWCNKUOSM-VOTSOKGWSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB07616 | 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid | LKZZDHKJFDTYCH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m71 | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB04086 | 2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside | WFVCNOHOODVBQK-IUBYCILNSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB06945 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide | FOSWRYKPHVPIDJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB09034 | Suvorexant | JYTNQNCOQXFQPK-MRXNPFEDSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB12949 | PF-03382792 | AGMOFKKOVMRGAK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB13533 | Methylestrenolone | ZXSWTMLNIIZPET-ZOFHRBRSSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB07216 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE | ZMGCFGGMTCMSDP-QHCPKHFHSA-N | S2 unit |
| -8.8 | 6vxx | DB04841 | Flunarizine | SMANXXCATUTDDT-QPJJXVBHSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6wiq | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.8 | 6vxs | DB12985 | Quisinostat | PAWIYAYFNXQGAP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB06741 | Gavestinel | WZBNEZWCNKUOSM-VOTSOKGWSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB07369 | N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | YMJLSOJLEXWATP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxs | DB12897 | MK-7622 | JUVQLZBJFOGEEO-GOTSBHOMSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6lxt | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | S2 unit |
| -8.8 | 6vxx | DB05234 | LGD2941 | HWLLYFXDDGGHOE-BCSUUIJWSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB13252 | Tropatepine | JOQKFRLFXDPXHX-HDICACEKSA-N | S2 unit |
| -8.8 | 6w4h | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB04703 | Hesperidin | QUQPHWDTPGMPEX-QJBIFVCTSA-N | nsp16 - nsp10 |
| -8.8 | 7bv1 | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB07021 | (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine | SOSYXEPELJIJHZ-RNCFNFMXSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB07045 | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | VBJKVZXRYLCYGQ-XNIJJKJLSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB07024 | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE | CEXBEGBNDJVZPK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB01264 | Darunavir | CJBJHOAVZSMMDJ-HEXNFIEUSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB03678 | (6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine | WVGZKPGUHOZIJQ-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB03490 | 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole | NHOACLCXCKJMAK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB07056 | 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide | JNWQLOFSMUGRNY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB02132 | Zenarestat | SXONDGSPUVNZLO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB08239 | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | NKLVBHMAIMEVEH-QFIPXVFZSA-N | 3CL pro |
| -8.8 | 6m3m | DB14221 | Beclomethasone 17-monopropionate | OHYGPBKGZGRQKT-XGQKBEPLSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB06409 | Morphine glucuronide | GNJCUHZOSOYIEC-GAROZEBRSA-N | spike glycoprotein |
| -8.8 | 6lzg | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6lzg | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6m2n | DB14768 | PF-06459988 | ODMXWZROLKITMS-RISCZKNCSA-N | 3CL pro |
| -8.8 | 6crv | DB15299 | AMG-232 | DRLCSJFKKILATL-YWCVFVGNSA-N | spike glycoprotein |
| -8.8 | 6lzg | DB14946 | PCO-371 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6lzg | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w4h | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB03970 | (7R)-7-(6,7-Dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid | CHNMLWCTGYMVFH-GFCCVEGCSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB03758 | Radicicol | WYZWZEOGROVVHK-GTMNPGAYSA-N | nsp16 - nsp10 |
| -8.8 | 6lxt | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | S2 unit |
| -8.8 | 6cs2 | DB09053 | Ibrutinib | XYFPWWZEPKGCCK-GOSISDBHSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB07015 | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine | XDSKICAQKGYYJF-OLZOCXBDSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB03701 | Vanoxerine | NAUWTFJOPJWYOT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB03672 | 9-N-Phenylmethylamino-Tacrine | JYJAEHAURXXPSD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB04859 | Zanapezil | PMBLXLOXUGVTGB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m2n | DB08092 | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide | VMLSXFMXUNVCSK-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxx | DB03719 | N-Ethyl-5'-Carboxamido Adenosine | JADDQZYHOWSFJD-BMYQGPEFSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB06144 | Sertindole | GZKLJWGUPQBVJQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB08095 | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA | ZWYFTKPEHRQCCW-HNNXBMFYSA-N | 3CL pro |
| -8.8 | 6m3m | DB03572 | FR230513 | URGFTPMACWKJKU-OAHLLOKOSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB14716 | Clonazolam | XJRGLCAWBRZUFC-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6cs2 | DB15346 | GLPG-1205 | IRBAWVGZNJIROV-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB13828 | Cyfluthrin | QQODLKZGRKWIFG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | nsp16 - nsp10 |
| -8.8 | 6w9c | DB03723 | 2'-Deoxy-Thymidine-Beta-L-Rhamnose | ZOSQFDVXNQFKBY-CGAXJHMRSA-N | PL pro |
| -8.8 | 6lxt | DB03397 | Uridine-Diphosphate-N-Acetylglucosamine | LFTYTUAZOPRMMI-CFRASDGPSA-N | S2 unit |
| -8.8 | 6vxx | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | spike glycoprotein |
| -8.8 | 6vxx | DB06194 | Elocalcitol | LRLWXBHFPGSUOX-GJQYOBCGSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB04761 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE] | NHPBWKYFMTXWAA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4h | DB06410 | Doxercalciferol | HKXBNHCUPKIYDM-CGMHZMFXSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB06933 | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | GJTCKUKIFXWJKG-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | S2 unit |
| -8.8 | 7bv1 | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6m2n | DB08123 | N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | GEWPSTLKJDIUHW-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB03515 | Equilenin | PDRGHUMCVRDZLQ-WMZOPIPTSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB06959 | (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine | BUCZDJYEOAQTHL-KEKNWZKVSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 7bv1 | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4h | DB04971 | Reglitazar | QBQLYIISSRXYKL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB14025 | Clinafloxacin | QGPKADBNRMWEQR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 7bv1 | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | 3CL pro |
| -8.8 | 6cs2 | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | ACE2 area for S-protein binding |
| -8.8 | 6cs2 | DB08816 | Ticagrelor | OEKWJQXRCDYSHL-FNOIDJSQSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB08836 | Temocapril | FIQOFIRCTOWDOW-BJLQDIEVSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB13310 | Ormeloxifene | XZEUAXYWNKYKPL-WDYNHAJCSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB13266 | Cefatrizine | UOCJDOLVGGIYIQ-PBFPGSCMSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB13939 | RAD-140 | XMBUPPIEVAFYHO-KPZWWZAWSA-N | 3CL pro |
| -8.8 | 6cs2 | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB11903 | GW842166 | TWQYWUXBZHPIIV-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB11656 | Rebamipide | ALLWOAVDORUJLA-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6lxt | DB14902 | JHU-75528 C-11 | MCNQUWLLXZZZAC-BJUDXGSMSA-N | S2 unit |
| -8.8 | 6m3m | DB02431 | Cytidine-5'-Triphosphate | PCDQPRRSZKQHHS-XVFCMESISA-N | nucleocapsid protein |
| -8.8 | 6crv | DB08382 | Gosogliptin | QWEWGXUTRTXFRF-KBPBESRZSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB02706 | Mercaptocarboxylate Inhibitor | DUKDFMPUZRDWLT-CQSZACIVSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB13930 | Ulixertinib | KSERXGMCDHOLSS-LJQANCHMSA-N | 3CL pro |
| -8.8 | 6vxx | DB12890 | Dihydrexidine | BGOQGUHWXBGXJW-YOEHRIQHSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12840 | Pirnabine | AADNQNOXNWEYHS-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12774 | AZD-8055 | KVLFRAWTRWDEDF-IRXDYDNUSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB08444 | 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile | YYGZQXRLQMFHDH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB11893 | Avagacestat | XEAOPVUAMONVLA-QGZVFWFLSA-N | 3CL pro |
| -8.8 | 6vxx | DB12745 | GSK-690693 | KGPGFQWBCSZGEL-ZDUSSCGKSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12732 | Firategrast | YLFZHHDVRSYTKT-NRFANRHFSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12731 | Daporinad | KPBNHDGDUADAGP-VAWYXSNFSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB13919 | Candesartan | HTQMVQVXFRQIKW-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6cs2 | DB02155 | Balanol Analog 8 | XVLMXAUKCDSMMW-YXLARRHKSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m71 | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB08538 | N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | HQPVGVSQPQVZLD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB13397 | Prenoxdiazine | PXZDWASDNFWKSD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB08365 | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide | XUAHLMVOYLUYSB-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB14775 | Cavosonstat | BXSZILNGNMDGSL-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB14726 | Dabigatran | YBSJFWOBGCMAKL-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | S2 unit |
| -8.8 | 6vxx | DB14673 | Flurandrenolide acetate | AUDPKCCPWYXNEV-XTLNBZDDSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB05835 | NS-3728 | OQRAKHDEGGGWQO-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6vxx | DB14662 | Flunisolide acetate | WEGNFRKBIKYVLC-XTLNBZDDSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | S2 unit |
| -8.8 | 6vxx | DB14654 | Bisoxatin acetate | ZCBJDQBSLZREAA-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB14653 | Clocortolone caproate | MMTRTBFDFNRBQO-ANHDKODLSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB08239 | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | NKLVBHMAIMEVEH-QFIPXVFZSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB02698 | N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid | NQOOJFXBGLOGTC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB14634 | Fluprednidene acetate | DEFOZIFYUBUHHU-IYQKUMFPSA-N | spike glycoprotein |
| -8.8 | 6crv | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB02854 | Aetiocholanolone | QGXBDMJGAMFCBF-BNSUEQOYSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB08521 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | CDMGBJANTYXAIV-HHHXNRCGSA-N | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6lxt | DB05454 | Paliroden | CNEWKIDCGDXBDE-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6lxt | DB05423 | ORG-34517 | DFELGYQKEOCHOA-BZAFBGKRSA-N | S2 unit |
| -8.8 | 7bv1 | DB12048 | Savolitinib | XYDNMOZJKOGZLS-NSHDSACASA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB01532 | alpha-Methylacetylfentanyl | OKTLVZBUKMRPLL-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB13729 | Camostat | XASIMHXSUQUHLV-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB00846 | Flurandrenolide | POPFMWWJOGLOIF-XWCQMRHXSA-N | spike glycoprotein |
| -8.8 | 6crv | DB08309 | 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL | AMFGILNPFBVREA-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB12566 | Decernotinib | ASUGUQWIHMTFJL-QGZVFWFLSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6cs2 | DB01946 | 3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione | UQHKJRCFSLMWIA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB08281 | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate | BDVAWAILQCYMQE-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | ACE2 area for S-protein binding |
| -8.8 | 6cs2 | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB02466 | 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid | ZXQHMEUGMCXKLO-KPKJPENVSA-N | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6vxx | DB12024 | PF-04418948 | LWJGMYMNSNVCEM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB11759 | Pevonedistat | MPUQHZXIXSTTDU-QXGSTGNESA-N | 3CL pro |
| -8.8 | 6vxx | DB09050 | Ceftolozane | JHFNIHVVXRKLEF-DCZLAGFPSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB04623 | 2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | CGBRFCVAMLJVEA-ZGURCIGKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB11816 | Omecamtiv Mecarbil | RFUBTTPMWSKEIW-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB09063 | Ceritinib | VERWOWGGCGHDQE-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB08339 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | ZIQFYVPVJZEOFS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB04690 | Camptothecin | VSJKWCGYPAHWDS-FQEVSTJZSA-N | S2 unit |
| -8.8 | 6m71 | DB04708 | (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE | SYNSHNDQFWMLJW-YZGRCXSVSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB08545 | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE | YPTMOJMDCPUCJT-ZDUSSCGKSA-M | spike glycoprotein |
| -8.8 | 6m71 | DB04797 | Triazolopyridine | OVCXRBARSPBVMC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | S2 unit |
| -8.8 | 7bv1 | DB04244 | (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide | YCDHZDINQZLSRR-DNQXCXABSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6cs2 | DB02673 | (4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium | VLGAHTYYCHWLNI-BHRZLAGCSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB08569 | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE | VLPMRZSKJUTRBQ-IBGZPJMESA-N | spike glycoprotein |
| -8.8 | 6m2n | DB11816 | Omecamtiv Mecarbil | RFUBTTPMWSKEIW-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB01196 | Estramustine | FRPJXPJMRWBBIH-RBRWEJTLSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB09286 | Pipamperone | AXKPFOAXAHJUAG-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB09279 | Fimasartan | AMEROGPZOLAFBN-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6m2n | DB13778 | Cefazedone | VTLCNEGVSVJLDN-MLGOLLRUSA-N | 3CL pro |
| -8.8 | 6vxx | DB09223 | Blonanserin | XVGOZDAJGBALKS-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB13806 | Linopirdine | YEJCDKJIEMIWRQ-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m71 | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB12612 | Ozanimod | XRVDGNKRPOAQTN-FQEVSTJZSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB02479 | (R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide | ZFWHOUCRVSOZJE-CQSZACIVSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB02669 | RB106 | ZWDQTNWLXALTOV-QYZOEREBSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB04042 | 2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol | XLJNZONSWKENRP-VABIIVNOSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB12547 | LY-2886721 | NIDRNVHMMDAAIK-YPMLDQLKSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12543 | Samidorphan | RYIDHLJADOKWFM-MAODMQOUSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB04098 | Balanol | XYUFCXJZFZPEJD-PGRDOPGGSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB12302 | CP-724714 | LLVZBTWPGQVVLW-SNAWJCMRSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB02220 | AL7089A | RMOXCYSVWCHXII-LBPRGKRZSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB15393 | Telatinib | QFCXANHHBCGMAS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxx | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB12260 | Radiprodil | GKGRZLGAQZPEHO-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB11736 | PF-00489791 | ZUHZNKJIJDAJFD-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB02621 | Latrunculin A | DDVBPZROPPMBLW-IZGXTMSKSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB02616 | FR117016 | CKJGKHXCUDWFDC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB15229 | CNV-2197944 | BLFJGFDZMABYMY-ZDUSSCGKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB12420 | Diazepinomicin | SALVHVNECODMJP-GNUCVDFRSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | spike glycoprotein |
| -8.8 | 6crv | DB08489 | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE | GCBPAPVOMPJQHK-NQIIRXRSSA-N | spike glycoprotein |
| -8.8 | 6crv | DB08491 | N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE | ARIRIZBKMKMEBD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6m3m | DB02610 | N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide | LRKSHOLYETXPGY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB01289 | Glisoxepide | ZKUDBRCEOBOWLF-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB07855 | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | CWHMAWBXRCDOEB-HNNXBMFYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB08173 | 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE | UCKHUNHXYMAFQM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB14845 | Filgotinib | RIJLVEAXPNLDTC-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB02292 | Irosustat | DSLPMJSGSBLWRE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB07815 | GIBBERELLIN A4 | RSQSQJNRHICNNH-NFMPGMCNSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB11992 | Omarigliptin | MKMPWKUAHLTIBJ-ISTRZQFTSA-N | 3CL pro |
| -8.8 | 6cs2 | DB01200 | Bromocriptine | OZVBMTJYIDMWIL-AYFBDAFISA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxs | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB07838 | (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE | ZTWBCEZQPRYIGY-ZROIWOOFSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB07530 | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol | PCHUQQNKOFNVDU-OSXMSNBXSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB07531 | 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | JNPRTUHVCHGFHJ-GHXNOFRVSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB07534 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | BKUMVXIXUVYKDQ-GHXNOFRVSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB08739 | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | ZSXNPAWXICXNGZ-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB08971 | Fluocortolone | GAKMQHDJQHZUTJ-ULHLPKEOSA-N | 3CL pro |
| -8.8 | 6vxx | DB07741 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE | VPNYXOTTXAXSIH-SXYSDOLCSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB11990 | MK-0812 | UNVWTBOGMHPKJM-CWKRKGSWSA-N | 3CL pro |
| -8.8 | 6m3m | DB03205 | Pyrroloquinoline Quinone | MMXZSJMASHPLLR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB07878 | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE | OEHUTYXPQSSKAK-RVLLMHTFSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB02316 | 1-(5-Carboxypentyl)-5-[(2,6-Dichlorobenzyl)Oxy]-1 H-Indole-2-Carboxylic Acid | JTGPYFFQVOIJKR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w4b | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6w4b | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | nsp9 |
| -8.8 | 7bv1 | DB07787 | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE | PNPFDRCIGCUCMN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB07891 | 4-{[(14beta,17alpha)-3-hydrox1tra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | YJPIDPAGJSWWBE-FNIAAEIWSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB02790 | Phenyl-Uridine-5'-Diphosphate | ZHUWBKDWWGKIEN-FMKGYKFTSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB15319 | VM4-037 | QGYZPMXIVNIGKA-GMAHTHKFSA-N | ribose phosphatase of NSP3 |
| -8.8 | 7bv1 | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB07486 | 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline | KLSZVPNVFKKIRD-FNORWQNLSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB07479 | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL | WCUHTHVUZQCBTI-KBAYOESNSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB03239 | 3',5'-Dinitro-N-Acetyl-L-Thyronine | VZSQTOXQXPKQJX-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.8 | 6w4b | DB13050 | Tirilazad | RBKASMJPSJDQKY-RBFSKHHSSA-N | nsp9 |
| -8.8 | 6lxt | DB15157 | Voruciclib | MRPGRAKIAJJGMM-OCCSQVGLSA-N | S2 unit |
| -8.8 | 6w4b | DB12799 | Laniquidar | TULGGJGJQXESOO-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6vxx | DB07369 | N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide | YMJLSOJLEXWATP-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB07649 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol | DIGGNILBPCEZIV-CVEARBPZSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB08822 | Azilsartan medoxomil | QJFSABGVXDWMIW-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w4b | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | nsp9 |
| -8.8 | 6lxt | DB06879 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE | QCFIRACCCDFXIP-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6vxx | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxx | DB07404 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | YXQQNSYZOQHKHD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB07703 | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE | NZUJVBSYQXETNF-PQWITYJESA-N | spike glycoprotein |
| -8.8 | 6w4b | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6m2n | DB08867 | Ulipristal | HKDLNTKNLJPAIY-WKWWZUSTSA-N | 3CL pro |
| -8.8 | 6lxt | DB11952 | Duvelisib | SJVQHLPISAIATJ-ZDUSSCGKSA-N | S2 unit |
| -8.8 | 6w4b | DB11986 | Entrectinib | HAYYBYPASCDWEQ-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6w4b | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6crv | DB07753 | 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID | VCEFNMHMLWBFNV-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB00224 | Indinavir | CBVCZFGXHXORBI-PXQQMZJSSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB07761 | (2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol | ZVSBKYYVBCKDBO-OAHLLOKOSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m71 | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4b | DB11651 | Dactolisib | JOGKUKXHTYWRGZ-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6lxt | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | S2 unit |
| -8.8 | 6lxt | DB06745 | ginkgolide-C | AMOGMTLMADGEOQ-DTDWCABLSA-N | S2 unit |
| -8.8 | 6m3m | DB01098 | Rosuvastatin | BPRHUIZQVSMCRT-VEUZHWNKSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB07340 | N-6-cyclohexyl-N-2-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | ZFLJHSQHILSNCM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB08166 | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | LPFQFJAOMCGYCP-GFCCVEGCSA-N | spike glycoprotein |
| -8.8 | 6w4b | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6vxs | DB15343 | HM-43239 | FZLSDZZNPXXBBB-KDURUIRLSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w4b | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6crv | DB15418 | AZD-9977 | MBKYLPOPYYLTNW-ZDUSSCGKSA-N | spike glycoprotein |
| -8.8 | 6w4b | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6lxt | DB06212 | Tolvaptan | GYHCTFXIZSNGJT-XMMPIXPASA-N | S2 unit |
| -8.8 | 6crv | DB08149 | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine | KCWPSUKJCKZEAO-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB01501 | Difenoxin | UFIVBRCCIRTJTN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB08151 | (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol | YLTDNVVQKRHCJP-RKQHYHRCSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB12622 | Lupeol | MQYXUWHLBZFQQO-QGTGJCAVSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB11263 | Polydatin | HSTZMXCBWJGKHG-CUYWLFDKSA-N | 3CL pro |
| -8.8 | 6crv | DB08169 | (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide | CAGGGMPTWTUYHZ-ZCXUNETKSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB07422 | (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | MMNRWNREMUMYQG-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB15446 | Vidofludimus | XPRDUGXOWVXZLL-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB08192 | 2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE | HCUGCUQZFBURHR-LBPRGKRZSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB08597 | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | XHBVYDAKJHETMP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB00434 | Cyproheptadine | JJCFRYNCJDLXIK-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB08133 | N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide | MNHPHKFLWAPNOV-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB15362 | LSZ-102 | SJXNPGGVGZXKKI-NYYWCZLTSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB02684 | 5'-O-(N-(L-Cysteinyl)-Sulfamoyl)Adenosine | FTSDEWPMACCNGN-YTMOPEAISA-N | spike glycoprotein |
| -8.8 | 6vxx | DB15358 | JNJ-54175446 | CWFVVQFVGMFTBD-SECBINFHSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB00246 | Ziprasidone | MVWVFYHBGMAFLY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB14054 | Asiatic acid | JXSVIVRDWWRQRT-UYDOISQJSA-N | 3CL pro |
| -8.8 | 6m3m | DB02375 | Myricetin | IKMDFBPHZNJCSN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB14856 | PF-05089771 | ZYSCOUXLBXGGIM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6wiq | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | nsp7-nsp8 |
| -8.8 | 6lxt | DB06346 | Fiboflapon | DFQGDHBGRSTTHX-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6crv | DB08116 | (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine | DEOZLEGRVHDNKC-UGKGYDQZSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB11793 | Niraparib | PCHKPVIQAHNQLW-CQSZACIVSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB03154 | {[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid | VHKBLEYUHBIBNR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB03181 | 2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione | RXQAVKWRCZYGMV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB03446 | N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide | FSMWGHKWKYCPKE-QTVCLEQKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB03141 | 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril | UYUWNNRWESUYOB-FIRIVFDPSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB03173 | CRA_10433 | CFSQPEBVGUSQII-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB12672 | Icaritin | TUUXBSASAQJECY-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB07986 | [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID | GNSLACGSDSJAIQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB14538 | Hydrocortisone aceponate | MFBMYAOAMQLLPK-FZNHGJLXSA-N | 3CL pro |
| -8.8 | 6w4b | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | nsp9 |
| -8.8 | 6vxx | DB07815 | GIBBERELLIN A4 | RSQSQJNRHICNNH-NFMPGMCNSA-N | spike glycoprotein |
| -8.8 | 6w4b | DB07189 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | BFZXMIUWGSTUAL-ZSOKXDGFSA-N | nsp9 |
| -8.8 | 7bv1 | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4b | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6w4b | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6m3m | DB03069 | Cytidine-5'-Diphospho-Beta-D-Xylose | NWSKPSPTJOAICE-OCIMBMBZSA-N | nucleocapsid protein |
| -8.8 | 6w4b | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | nsp9 |
| -8.8 | 6m71 | DB01669 | Virginiamycin M1 | DAIKHDNSXMZDCU-FQTGFAPKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB06581 | Bevirimat | YJEJKUQEXFSVCJ-WRFMNRASSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB08055 | N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | NNBICZMPIJMWGC-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB07404 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | YXQQNSYZOQHKHD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB06409 | Morphine glucuronide | GNJCUHZOSOYIEC-GAROZEBRSA-N | S2 unit |
| -8.8 | 7bv1 | DB11487 | Dexamethasone isonicotinate | BQTXJHAJMDGOFI-NJLPOHDGSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB03037 | Oxidized Acetyl Dithranol | IKFRFGXQHSBCQM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB12654 | GSK-376501 | OIDYMQICWGYEDR-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB03461 | 2'-Monophosphoadenosine 5'-Diphosphoribose | XJLXINKUBYWONI-NNYOXOHSSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB12812 | Palomid 529 | YEAHTLOYHVWAKW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w4h | DB06448 | Lonafarnib | DHMTURDWPRKSOA-RUZDIDTESA-N | nsp16 - nsp10 |
| -8.8 | 6m71 | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB04463 | 3-(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenol | CPLGZXQPPYRNRC-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | nsp16 - nsp10 |
| -8.8 | 6cs2 | DB04432 | ZK-805623 | ZXIHYCYAQUQHSG-UHFFFAOYSA-O | ACE2 area for S-protein binding |
| -8.8 | 6lxt | DB02319 | 5,6-Dihydroxy-Nadp | LRAVAOPKUBJONV-IVCJQJMGSA-N | S2 unit |
| -8.8 | 6m2n | DB15156 | ABT-072 | XMZSTQYSBYEENY-RMKNXTFCSA-N | 3CL pro |
| -8.8 | 6w4h | DB15393 | Telatinib | QFCXANHHBCGMAS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB12021 | Dinaciclib | PIMQWRZWLQKKBJ-SFHVURJKSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB08520 | (21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE | VUCSBBBCFXBFFY-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB00457 | Prazosin | IENZQIKPVFGBNW-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB04540 | Cholesterol | HVYWMOMLDIMFJA-DPAQBDIFSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB15291 | BMS-986142 | ZRYMMWAJAFUANM-INIZCTEOSA-N | nsp16 - nsp10 |
| -8.8 | 6cs2 | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m71 | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB04575 | Quinestrol | PWZUUYSISTUNDW-VAFBSOEGSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB15106 | Surufatinib | TTZSNFLLYPYKIL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB12093 | Tetrahydropalmatine | AEQDJSLRWYMAQI-KRWDZBQOSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB02338 | Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate | ACFIXJIJDZMPPO-NNYOXOHSSA-N | S2 unit |
| -8.8 | 6w4h | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | nsp16 - nsp10 |
| -8.8 | 6m71 | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6cs2 | DB04378 | 3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide | APJAEXGNDLFGPD-AWCRTANDSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w4h | DB15003 | PF-06700841 | BUWBRTXGQRBBHG-MJBXVCDLSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB12122 | Figopitant | HUTHJVYJUPXHDF-DEOSSOPVSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB00247 | Methysergide | KPJZHOPZRAFDTN-NQUBZZJWSA-N | PL pro |
| -8.8 | 6vxx | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB00301 | Flucloxacillin | UIOFUWFRIANQPC-JKIFEVAISA-N | PL pro |
| -8.8 | 6cs2 | DB15023 | BMS-791826 | DZBKAUMYTFPJIS-QHCPKHFHSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB00680 | Moricizine | FUBVWMNBEHXPSU-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6lzg | DB09075 | Edoxaban | HGVDHZBSSITLCT-JLJPHGGASA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6m2n | DB07179 | 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide | DXUJQXZHHGJMFM-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB07180 | 5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide | FIRPCWHHIWFKCD-GHXNOFRVSA-N | 3CL pro |
| -8.8 | 6w9c | DB00635 | Prednisone | XOFYZVNMUHMLCC-ZPOLXVRWSA-N | PL pro |
| -8.8 | 6m2n | DB07181 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide | JYKFWUXBFJJDTP-HXUWFJFHSA-N | 3CL pro |
| -8.8 | 6w9c | DB00580 | Valdecoxib | LNPDTQAFDNKSHK-UHFFFAOYSA-N | PL pro |
| -8.8 | 6cs2 | DB11950 | Teneligliptin | WGRQANOPCQRCME-PMACEKPBSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB00485 | Dicloxacillin | YFAGHNZHGGCZAX-JKIFEVAISA-N | PL pro |
| -8.8 | 6crv | DB04348 | Taurocholic Acid | WBWWGRHZICKQGZ-HZAMXZRMSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB11960 | Carboxyamidotriazole | WNRZHQBJSXRYJK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB11963 | Dacomitinib | LVXJQMNHJWSHET-AATRIKPKSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB00408 | Loxapine | XJGVXQDUIWGIRW-UHFFFAOYSA-N | PL pro |
| -8.8 | 6vxs | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxx | DB01608 | Periciazine | LUALIOATIOESLM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07193 | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine | HJJAYSSCWGUPKO-ABAIWWIYSA-N | 3CL pro |
| -8.8 | 7bv1 | DB13927 | anle138b | RCQIIBJSUWYYFU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB11259 | Diosmetin | MBNGWHIJMBWFHU-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07203 | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE | OUEGMEMDEAOAEG-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB11967 | Binimetinib | ACWZRVQXLIRSDF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB11978 | Glasdegib | SFNSLLSYNZWZQG-VQIMIIECSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB04429 | 4'-Hydroxyflavanone | ZLHVIYHWWQYJID-HNNXBMFYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB12131 | Vinpocetine | DDNCQMVWWZOMLN-IRLDBZIGSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | nsp16 - nsp10 |
| -8.8 | 6m2n | DB12290 | Puerarin | HKEAFJYKMMKDOR-VPRICQMDSA-N | 3CL pro |
| -8.8 | 6crv | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB11759 | Pevonedistat | MPUQHZXIXSTTDU-QXGSTGNESA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB04842 | Fluspirilene | QOYHHIBFXOOADH-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lzg | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6m71 | DB14569 | Tedizolid | XFALPSLJIHVRKE-GFCCVEGCSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB07629 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-DLBZAZTESA-N | S2 unit |
| -8.8 | 6w4h | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB13088 | AZD-0424 | MVWATCATLSSVBH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB04865 | Omacetaxine mepesuccinate | HYFHYPWGAURHIV-JFIAXGOJSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB12301 | Doravirine | ZIAOVIPSKUPPQW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6cs2 | DB11742 | Ebastine | MJJALKDDGIKVBE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB03996 | 3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol | QBZAPFWYAPXRGQ-KRWDZBQOSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB07467 | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide | NDDAHWYSQHTHNT-JTQLQIEISA-N | 3CL pro |
| -8.8 | 6vxx | DB04690 | Camptothecin | VSJKWCGYPAHWDS-FQEVSTJZSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB12078 | Enobosarm | JNGVJMBLXIUVRD-SFHVURJKSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6cs2 | DB11712 | Tezacaftor | MJUVRTYWUMPBTR-MRXNPFEDSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB07486 | 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline | KLSZVPNVFKKIRD-FNORWQNLSA-N | 3CL pro |
| -8.8 | 6vxx | DB02877 | Arotinoid acid | FOIVPCKZDPCJJY-JQIJEIRASA-N | spike glycoprotein |
| -8.8 | 6vxs | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB13114 | Amitriptylinoxide | ZPMKQFOGINQDAM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB13155 | Esculin | XHCADAYNFIFUHF-TVKJYDDYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w4h | DB13490 | Hidrosmin | XYFLWVOTXWXNAM-WTNNCJBMSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | nsp16 - nsp10 |
| -8.8 | 6m2n | DB07267 | 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine | JONFDFIXMPXTRH-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m2n | DB07268 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE | QHPKKGUGRGRSGA-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB04628 | Allosamidin | MDWNFWDBQGOKNZ-XYUDZHFQSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07872 | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | IYGIXVNAMZPBDK-CQSZACIVSA-N | 3CL pro |
| -8.8 | 6w4h | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB12148 | Menatetrenone | DKHGMERMDICWDU-GHDNBGIDSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB14726 | Dabigatran | YBSJFWOBGCMAKL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB04645 | 5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID | NJJIFGCFUDDBSP-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB05327 | Ranirestat | QCVNMNYRNIMDKV-QGZVFWFLSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB02102 | DMP450 | KYRSNWPSSXSNEP-ZRTHHSRSSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | 3CL pro |
| -8.8 | 6m71 | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB11992 | Omarigliptin | MKMPWKUAHLTIBJ-ISTRZQFTSA-N | ribose phosphatase of NSP3 |
| -8.8 | 7bv1 | DB09003 | Clocapramine | QAZKXHSIKKNOHH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB02358 | LY374571 | SZHRIPFGZWWRKW-VIFPVBQESA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB00496 | Darifenacin | HXGBXQDTNZMWGS-RUZDIDTESA-N | ACE2 area for S-protein binding |
| -8.8 | 6w4h | DB13919 | Candesartan | HTQMVQVXFRQIKW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6lzg | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6m71 | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB08213 | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE | PFAYCUAUBOGVDX-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB15099 | GW-468816 | XDKRVNKVAKCFGW-WXWBBQJKSA-N | 3CL pro |
| -8.8 | 6lzg | DB11791 | Capmatinib | LIOLIMKSCNQPLV-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6m2n | DB07311 | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE | JRSWWYITYIOHOP-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w4h | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | nsp16 - nsp10 |
| -8.8 | 7bv1 | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB01548 | Diprenorphine | OIJXLIIMXHRJJH-KNLIIKEYSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB12149 | S-3304 | YWCLDDLVLSQGSZ-JOCHJYFZSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB00673 | Aprepitant | ATALOFNDEOCMKK-OITMNORJSA-N | 3CL pro |
| -8.8 | 6m71 | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB04205 | Thymidine-3',5'-Diphosphate | CSNCBOPUCJOHLS-XLPZGREQSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB04201 | Histidyl-Adenosine Monophosphate | XTFBSLZFYLGYAT-OPYVMVOTSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6m3m | DB11485 | Ceftiofur | ZBHXIWJRIFEVQY-IHMPYVIRSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB00671 | Cefixime | OKBVVJOGVLARMR-QSWIMTSFSA-N | 3CL pro |
| -8.8 | 6vxx | DB00962 | Zaleplon | HUNXMJYCHXQEGX-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6w9c | DB02197 | 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide | NKORVPQBJCGYEC-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m2n | DB06959 | (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine | BUCZDJYEOAQTHL-KEKNWZKVSA-N | 3CL pro |
| -8.8 | 6vxx | DB00973 | Ezetimibe | OLNTVTPDXPETLC-XPWALMASSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB05936 | CVT-6883 | KOYXXLLNCXWUNF-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB11521 | Imidocarb | SCEVFJUWLLRELN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxx | DB05913 | OSI-930 | FGTCROZDHDSNIO-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB02081 | Bis-Benzamidine | BXYGSMRTHHSAHZ-PMACEKPBSA-N | PL pro |
| -8.8 | 6m2n | DB06983 | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol | RBLKWWBHDUBPFN-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB11519 | Fluprostenol | WWSWYXNVCBLWNZ-QIZQQNKQSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB06985 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | MEAQCLPMSVEOQF-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m71 | DB09003 | Clocapramine | QAZKXHSIKKNOHH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6crv | DB03823 | Epigallocatechin | XMOCLSLCDHWDHP-IUODEOHRSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB15242 | MK-0533 | STWITCBWQHTJFJ-XMMPIXPASA-N | 3CL pro |
| -8.8 | 6crv | DB11511 | Difloxacin | NOCJXYPHIIZEHN-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB11430 | Monensin | GAOZTHIDHYLHMS-KEOBGNEYSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB12417 | Anagliptin | LDXYBEHACFJIEL-HNNXBMFYSA-N | 3CL pro |
| -8.8 | 6m2n | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | 3CL pro |
| -8.8 | 6w9c | DB02547 | Guanosine-5'-Diphosphate-Rhamnose | LQEBEXMHBLQMDB-GDJBGNAASA-N | PL pro |
| -8.8 | 6w9q | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | nsp9 RNA-replicase |
| -8.8 | 6lxt | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | S2 unit |
| -8.8 | 7bv1 | DB01289 | Glisoxepide | ZKUDBRCEOBOWLF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB09226 | RP-5063 | PMKMNTBZJOXTJW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6wiq | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | nsp7-nsp8 |
| -8.8 | 6m2n | DB12461 | GLPG-0492 | VAJGULUVTFDTAS-GOSISDBHSA-N | 3CL pro |
| -8.8 | 7bv1 | DB05416 | Cardarine | YDBLKRPLXZNVNB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB00713 | Oxacillin | UWYHMGVUTGAWSP-JKIFEVAISA-N | 3CL pro |
| -8.8 | 6w9c | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | PL pro |
| -8.8 | 6m3m | DB09330 | Osimertinib | DUYJMQONPNNFPI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB03081 | Crc200 (Chiron-Behring) | ZOXOKTJHZSUHRJ-XZOQPEGZSA-N | PL pro |
| -8.8 | 6m2n | DB12434 | Steviolbioside | OMHUCGDTACNQEX-OSHKXICASA-N | 3CL pro |
| -8.8 | 6crv | DB11619 | Gestrinone | BJJXHLWLUDYTGC-ANULTFPQSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | ACE2 area for S-protein binding |
| -8.8 | 6cs2 | DB04715 | IMIDAZOPYRIDAZIN 1 | IVUBNTNWKIPCPS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6cs2 | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB00687 | Fludrocortisone | AAXVEMMRQDVLJB-BULBTXNYSA-N | 3CL pro |
| -8.8 | 6w9c | DB02877 | Arotinoid acid | FOIVPCKZDPCJJY-JQIJEIRASA-N | PL pro |
| -8.8 | 6crv | DB03672 | 9-N-Phenylmethylamino-Tacrine | JYJAEHAURXXPSD-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m71 | DB09183 | Dasabuvir | NBRBXGKOEOGLOI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m71 | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB00680 | Moricizine | FUBVWMNBEHXPSU-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB11385 | Cefalonium | FMZXNVLFJHCSAF-DNVCBOLYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB02573 | 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate | LYWWDKIADIGKTH-IDMWBNCISA-N | PL pro |
| -8.8 | 6crv | DB13393 | Emetine | AUVVAXYIELKVAI-CKBKHPSWSA-N | spike glycoprotein |
| -8.8 | 6crv | DB11507 | Cloprostenol | VJGGHXVGBSZVMZ-QIZQQNKQSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB11675 | Mosapride | YPELFRMCRYSPKZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB01765 | (5-Oxo-5,6-Dihydro-Indolo[1,2-a]Quinazolin-7-Yl)-Acetic Acid | INSBKYCYLCEBOD-UHFFFAOYSA-N | PL pro |
| -8.8 | 7bv1 | DB01177 | Idarubicin | XDXDZDZNSLXDNA-TZNDIEGXSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB11828 | Neratinib | JWNPDZNEKVCWMY-VQHVLOKHSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB01089 | Deserpidine | CVBMAZKKCSYWQR-WCGOZPBSSA-N | PL pro |
| -8.8 | 6lzg | DB00826 | Natamycin | NCXMLFZGDNKEPB-FFPOYIOWSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6lzg | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6m3m | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB00977 | Ethinylestradiol | BFPYWIDHMRZLRN-SLHNCBLASA-N | PL pro |
| -8.8 | 6w9c | DB00967 | Desloratadine | JAUOIFJMECXRGI-UHFFFAOYSA-N | PL pro |
| -8.8 | 6m3m | DB11865 | Brivanib alaninate | LTEJRLHKIYCEOX-OCCSQVGLSA-N | nucleocapsid protein |
| -8.8 | 6m71 | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB11800 | Tivozanib | SPMVMDHWKHCIDT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxx | DB01496 | Barbituric acid derivative | DNZPLHRZXUJATK-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB01497 | Etorphine | CAHCBJPUTCKATP-HBDRVVKHSA-N | spike glycoprotein |
| -8.8 | 6crv | DB04186 | N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea | KLVYMYQTRZCMLE-CYBMUJFWSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB00858 | Drostanolone | IKXILDNPCZPPRV-RFMGOVQKSA-N | PL pro |
| -8.8 | 6crv | DB11409 | Febantel | HMCCXLBXIJMERM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07148 | (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one | HPAFVLDARQIHPU-HNNXBMFYSA-N | 3CL pro |
| -8.8 | 6w9c | DB00823 | Ethynodiol diacetate | ONKUMRGIYFNPJW-KIEAKMPYSA-N | PL pro |
| -8.8 | 6m2n | DB12379 | Indirubin | CRDNMYFJWFXOCH-BUHFOSPRSA-N | 3CL pro |
| -8.8 | 6m71 | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w9c | DB00764 | Mometasone | QLIIKPVHVRXHRI-CXSFZGCWSA-N | PL pro |
| -8.8 | 6w9c | DB00739 | Hetacillin | DXVUYOAEDJXBPY-NFFDBFGFSA-N | PL pro |
| -8.8 | 6m71 | DB08710 | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE | BKZOQCGDCHOGOQ-MZLJFPOFSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6lxt | DB02194 | 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | ULLMMKZQNNBLRN-SANMLTNESA-N | S2 unit |
| -8.8 | 6cs2 | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w9c | DB01138 | Sulfinpyrazone | MBGGBVCUIVRRBF-UHFFFAOYSA-N | PL pro |
| -8.8 | 6lzg | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w9c | DB01212 | Ceftriaxone | VAAUVRVFOQPIGI-SPQHTLEESA-N | PL pro |
| -8.8 | 6vxs | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | ribose phosphatase of NSP3 |
| -8.8 | 1r42 | DB00320 | Dihydroergotamine | LUZRJRNZXALNLM-JGRZULCMSA-N | ACE2 area with important AAs |
| -8.8 | 6m3m | DB11681 | Tofimilast | DHCOPPHTVOXDKU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6m3m | DB04177 | 4-(3,14-Dihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One | XZTUSOXSLKTKJQ-CESUGQOBSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB01691 | Indole Naphthyridinone | VAZMNDXVXVUKFY-JXMROGBWSA-N | PL pro |
| -8.8 | 6vxx | DB01081 | Diphenoxylate | HYPPXZBJBPSRLK-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07008 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE | XPXGYINSBORUMM-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB03926 | 5-Alpha-Androstane-3-Beta,17-Alpha-Diol | CBMYJHIOYJEBSB-MFXFBURESA-N | spike glycoprotein |
| -8.8 | 6lzg | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6crv | DB15141 | Deutivacaftor | PURKAOJPTOLRMP-ASMGOKTBSA-N | spike glycoprotein |
| -8.8 | 6w9c | DB01572 | Methyl-1-testosterone | JRNSSSJKIGAFCT-YDSAWKJFSA-N | PL pro |
| -8.8 | 6m3m | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB15224 | Lisavanbulin | NIPZLALJRAHABJ-IBGZPJMESA-N | 3CL pro |
| -8.8 | 6m3m | DB04107 | [(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester | RNOYCNIZOAIUSV-LSWMGQQCSA-N | nucleocapsid protein |
| -8.8 | 6vxs | DB11701 | Amenamevir | MNHNIVNAFBSLLX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB13335 | Pinazepam | MFZOSKPPVCIFMT-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07043 | 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide | CKLCIJCZOIDJQU-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6w9c | DB01501 | Difenoxin | UFIVBRCCIRTJTN-UHFFFAOYSA-N | PL pro |
| -8.8 | 6vxs | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxs | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m2n | DB07063 | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | KYHVTMFADJNSGS-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6crv | DB11443 | Orbifloxacin | QIPQASLPWJVQMH-DTORHVGOSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m2n | DB13308 | Oxametacin | AJRNYCDWNITGHF-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB04142 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide | FEYGJZKVMASWJB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w9c | DB01357 | Mestranol | IMSSROKUHAOUJS-MJCUULBUSA-N | PL pro |
| -8.8 | 6cs2 | DB12082 | Vesnarinone | ZVNYJIZDIRKMBF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6cs2 | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | ACE2 area for S-protein binding |
| -8.8 | 6crv | DB07624 | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide | YJFULAYRAKPBCY-DYVFJYSZSA-N | spike glycoprotein |
| -8.8 | 6vxs | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6cs2 | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m3m | DB12974 | Roniciclib | UELYDGOOJPRWGF-SRQXXRKNSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB04578 | (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | OEVYDSSAPNIURZ-AEFFLSMTSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB12270 | Losmapimod | KKYABQBFGDZVNQ-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6lzg | DB12659 | SJ-733 | VKCPFWKTFZAOTO-LEWJYISDSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6lxt | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | S2 unit |
| -8.8 | 6m71 | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4h | DB08448 | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol | PCBWLKUEKANDCL-INIZCTEOSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB12002 | AZD-4818 | HVTUHSABWJPWNK-SFHVURJKSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB04301 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate | ZLAHDRAQCSQPOC-UHFFFAOYSA-P | spike glycoprotein |
| -8.8 | 6cs2 | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w4h | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6lxt | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | S2 unit |
| -8.8 | 6lzg | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6vxx | DB04542 | 3'-Azido-3'-Deoxythymidine-5'-Diphosphate | QOYVAFWJURKBJG-XLPZGREQSA-N | spike glycoprotein |
| -8.8 | 6crv | DB06397 | Nicaraven | KTXBOOWDLPUROC-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6m2n | DB07688 | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | RPJIMTALCNCQLV-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6m3m | DB12805 | Ataciguat | PQHLRGARXNPFCF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB06472 | Fradafiban | IKZACQMAVUIGPY-HOTGVXAUSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB11592 | Nitrocefin | LHNIIDJCEODSHA-OQRUQETBSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB12621 | ST-101 | QZWYXEBIQWJXAR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 1r42 | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | ACE2 area with important AAs |
| -8.8 | 6cs2 | DB15197 | RSV-604 | MTPVBMVUENFFLL-HXUWFJFHSA-N | ACE2 area for S-protein binding |
| -8.8 | 6w4h | DB12055 | MK-0767 | ORZMUVMQJPGFOM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB03490 | 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole | NHOACLCXCKJMAK-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB06257 | HE-2200 | OEVZKEVBDIDVOI-YSZCXEEOSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB13119 | GSK-364735 | QWLNINWUBHHOLU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB12020 | Tecovirimat | CSKDFZIMJXRJGH-VWLPUNTISA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB12015 | Alpelisib | STUWGJZDJHPWGZ-LBPRGKRZSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB12962 | CP-547632 | HXHAJRMTJXHJJZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB11845 | Lucitanib | CUDVHEFYRIWYQD-UHFFFAOYSA-N | S2 unit |
| -8.8 | 7bv1 | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6w4h | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB06280 | Senicapoc | SCTZUZTYRMOMKT-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lxt | DB00301 | Flucloxacillin | UIOFUWFRIANQPC-JKIFEVAISA-N | S2 unit |
| -8.8 | 6w4h | DB11853 | Relugolix | AOMXMOCNKJTRQP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6lzg | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6crv | DB06292 | Dapagliflozin | JVHXJTBJCFBINQ-ADAARDCZSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07651 | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE | KPMMESISHWWXNM-ROUUACIJSA-N | 3CL pro |
| -8.8 | 6vxx | DB03478 | 2'-O-Acetyl Adenosine-5-Diphosphoribose | BFNOPXRXIQJDHO-DLFWLGJNSA-N | spike glycoprotein |
| -8.8 | 6cs2 | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | ACE2 area for S-protein binding |
| -8.8 | 6vxs | DB12368 | AZD-3839 | MRXBCEQZNKUUIP-DEOSSOPVSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6w4h | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | nsp16 - nsp10 |
| -8.8 | 6vxs | DB12598 | Nafamostat | MQQNFDZXWVTQEH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6m3m | DB12725 | TD-8954 | MZOITCJKGUIQEI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB04042 | 2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol | XLJNZONSWKENRP-VABIIVNOSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07778 | FAMOXADONE | PCCSBWNGDMYFCW-QFIPXVFZSA-N | 3CL pro |
| -8.8 | 6vxx | DB04574 | Estrone sulfate | JKKFKPJIXZFSSB-CBZIJGRNSA-N | spike glycoprotein |
| -8.8 | 6crv | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6cs2 | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m2n | DB14906 | Adafosbuvir | NIJYGVDQZBBONK-SEUXLIJBSA-N | 3CL pro |
| -8.8 | 6lzg | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6lxt | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6m3m | DB12732 | Firategrast | YLFZHHDVRSYTKT-NRFANRHFSA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | S2 unit |
| -8.8 | 6m3m | DB03869 | 5'-O-(N-(L-Seryl)-Sulfamoyl)Adenosine | HQXFJGONGJPTLZ-YTMOPEAISA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB04254 | 8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine | ARWHTQLGMWHTAZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB13048 | PAC-1 | YQNRVGJCPCNMKT-LFVJCYFKSA-N | nucleocapsid protein |
| -8.8 | 6cs2 | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.8 | 6m71 | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxs | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6lzg | DB13093 | TAK-593 | DZFZXPPHBWCXPQ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w4h | DB08498 | (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | OVSAMUIBGQSLDC-INIZCTEOSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB13083 | Talarozole | SNFYYXUGUBUECJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB08037 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide | MYBGWENAVMIGMM-GIFXNVAJSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB04610 | 7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin | XMFJTCGUDFSWSW-INIZCTEOSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB12507 | Atecegatran metoxil | XSNMGLZVFNDDPW-ZWKOTPCHSA-N | nucleocapsid protein |
| -8.8 | 6m2n | DB07563 | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine | GCJSOJRPNOWSEH-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 7bv1 | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 7bv1 | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6vxx | DB03315 | Guanosine 3'-monophosphate | ZDPUTNZENXVHJC-UUOKFMHZSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07537 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide | CLEGTVIMOPPIBR-UHFFFAOYSA-N | 3CL pro |
| -8.8 | 6vxs | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6crv | DB13052 | Upamostat | HUASEDVYRABWCV-NDEPHWFRSA-N | spike glycoprotein |
| -8.8 | 7bv1 | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | nsp12-nsp7-nsp8 |
| -8.8 | 6m3m | DB01964 | AL5424 | ZWTSOJQGEWPWGO-NSHDSACASA-N | nucleocapsid protein |
| -8.8 | 6lxt | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | S2 unit |
| -8.8 | 6w4h | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | nsp16 - nsp10 |
| -8.8 | 6vxx | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | spike glycoprotein |
| -8.8 | 6lxt | DB07326 | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide | FEGRQUWSKADGSP-UHFFFAOYSA-N | S2 unit |
| -8.8 | 6lzg | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w4h | DB08861 | DPDPE | MCMMCRYPQBNCPH-WMIMKTLMSA-N | nsp16 - nsp10 |
| -8.8 | 6crv | DB06519 | Edaglitazone | HAAXAFNSRADSMK-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB13097 | 1alpha-Hydroxyvitamin D5 | NWFOBODUYTUMNC-VPSCEVSQSA-N | spike glycoprotein |
| -8.8 | 6vxx | DB04020 | 4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol | AIBKIFHSQQYXLG-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6crv | DB06529 | Ocinaplon | OQJFBUOFGHPMSR-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6lzg | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6crv | DB05289 | Tarenflurbil | SYTBZMRGLBWNTM-SNVBAGLBSA-N | spike glycoprotein |
| -8.8 | 6crv | DB05134 | Tanespimycin | AYUNIORJHRXIBJ-TXHRRWQRSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB03830 | Phosphorylated Dihydropteroate | DNKVHXNVVYQUDC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB12127 | Sultamicillin | OPYGFNJSCUDTBT-PMLPCWDUSA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB03823 | Epigallocatechin | XMOCLSLCDHWDHP-IUODEOHRSA-N | nucleocapsid protein |
| -8.8 | 6w4h | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | nsp16 - nsp10 |
| -8.8 | 6vxs | DB12260 | Radiprodil | GKGRZLGAQZPEHO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.8 | 6vxx | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6wiq | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.8 | 6crv | DB05990 | Obeticholic acid | ZXERDUOLZKYMJM-ZWECCWDJSA-N | spike glycoprotein |
| -8.8 | 6m3m | DB12960 | INCB-9471 | ZMCJFJZOSKEMOM-DNKZPPIMSA-N | nucleocapsid protein |
| -8.8 | 6vxx | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6m2n | DB07568 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE | ADRNPUSZBRQDBG-KRWDZBQOSA-N | 3CL pro |
| -8.8 | 6m3m | DB03903 | Tmr | KGFLZYXDJDOIEE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB05416 | Cardarine | YDBLKRPLXZNVNB-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB07993 | N-3-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE | LPQUIIHPUGDHJK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6w4h | DB08930 | Dolutegravir | RHWKPHLQXYSBKR-BMIGLBTASA-N | nsp16 - nsp10 |
| -8.8 | 6m3m | DB12949 | PF-03382792 | AGMOFKKOVMRGAK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.8 | 6crv | DB06140 | SUVN-502 | GWCYPEHWIZXYFZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.8 | 6w4h | DB08931 | Riociguat | WXXSNCNJFUAIDG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.8 | 6lzg | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.8 | 6w4h | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | nsp16 - nsp10 |
| -8.7 | 6crv | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB01455 | 19-Nor-5-androstenediol | VVUQRXPUVKXAIO-XFUVECHXSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB07618 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE | AITZHKQVQNLKHI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB15235 | Di-2-pyridylketone 4-cyclohexyl-4-methyl-3-thiosemicarbazone | GNLZNQJBZNOUBM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB04172 | [2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine | WATXEHGLYJKXOF-NDEPHWFRSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB15425 | CYC-065 | DLPIYBKBHMZCJI-WBVHZDCISA-N | spike glycoprotein |
| -8.7 | 6m2n | DB13981 | Nomegestrol acetate | IIVBFTNIGYRNQY-YQLZSBIMSA-N | 3CL pro |
| -8.7 | 6vxx | DB07237 | {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone | VUWFJUJWAWMRQN-HXUWFJFHSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB00445 | Epirubicin | AOJJSUZBOXZQNB-VTZDEGQISA-N | S2 unit |
| -8.7 | 6vxx | DB07238 | Nesbuvir | WTDWVLJJJOTABN-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB13094 | Pruvanserin | AQRLDDAFYYAIJP-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6cs2 | DB13471 | Nalfurafine | XGZZHZMWIXFATA-UEZBDDGYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | 3CL pro |
| -8.7 | 6crv | DB12924 | Ozenoxacin | XPIJWUTXQAGSLK-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB00248 | Cabergoline | KORNTPPJEAJQIU-KJXAQDMKSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB08220 | (8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid | RPNNXCYIESWDSC-JRZBRKEGSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB01138 | Sulfinpyrazone | MBGGBVCUIVRRBF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxs | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m2n | DB13185 | Oxabolone cipionate | KHKDIUPVDIEHAH-KXLSUQFWSA-N | 3CL pro |
| -8.7 | 6vxx | DB00436 | Bendroflumethiazide | HDWIHXWEUNVBIY-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.7 | 7bv1 | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6cs2 | DB07809 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | MBJYEMUMDMGQQC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB13664 | Formocortal | QNXUUBBKHBYRFW-QWAPGEGQSA-N | 3CL pro |
| -8.7 | 6cs2 | DB15333 | AZD-1386 | FPGNKXCEPARJDI-ZDUSSCGKSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB14846 | Bimiralisib | ADGGYDAFIHSYFI-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB14934 | GDC-0927 | KJAAPZIFCQQQKX-NDEPHWFRSA-N | 3CL pro |
| -8.7 | 6crv | DB13308 | Oxametacin | AJRNYCDWNITGHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB12590 | Indiplon | CBIAWPMZSFFRGN-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB12591 | BMS-911543 | JCINBYQJBYJGDM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB08562 | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | FTXJWRRYLLRFMG-MDZDMXLPSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB13533 | Methylestrenolone | ZXSWTMLNIIZPET-ZOFHRBRSSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB15206 | Uprifosbuvir | SFPFZQKYPOWCSI-KHFYHRBSSA-N | 3CL pro |
| -8.7 | 7bv1 | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB13312 | Delapril | WOUOLAUOZXOLJQ-MBSDFSHPSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB07965 | 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile | OGODDSLNRULSMM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB13531 | Nicofetamide | DWODOIKZDGJOPQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 1r42 | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | ACE2 area with important AAs |
| -8.7 | 6vxs | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | ribose phosphatase of NSP3 |
| -8.7 | 7bv1 | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6wiq | DB07833 | N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide | PMMLSQFPBFKLHH-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.7 | 6m71 | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6cs2 | DB07549 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | WOYBPRBUPLYTPY-UHFFFAOYSA-P | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB08169 | (2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide | CAGGGMPTWTUYHZ-ZCXUNETKSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB08569 | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE | VLPMRZSKJUTRBQ-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB01261 | Sitagliptin | MFFMDFFZMYYVKS-SECBINFHSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB00808 | Indapamide | NDDAHWYSQHTHNT-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB12022 | Evatanepag | WOHRHWDYFNWPNG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB07717 | (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | AJODXHGZHBERGJ-JLYQOUBASA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB12929 | JNJ-39220675 | IQOWHZHNGJXGHG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB04862 | Merimepodib | JBPUGFODGPKTDW-SFHVURJKSA-N | ribose phosphatase of NSP3 |
| -8.7 | 7bv1 | DB11778 | Danusertib | XKFTZKGMDDZMJI-HSZRJFAPSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB02319 | 5,6-Dihydroxy-Nadp | LRAVAOPKUBJONV-IVCJQJMGSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB04863 | Lefradafiban | PGCFXITVMNNKON-ROUUACIJSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB06920 | Eribaxaban | QQBKAVAGLMGMHI-WIYYLYMNSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB00197 | Troglitazone | GXPHKUHSUJUWKP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB14879 | Cefiderocol | DBPPRLRVDVJOCL-FQRUVTKNSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB08493 | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID | AKWKBACKRMYPRV-NQIIRXRSSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB14867 | Parsaclisib | ZQPDJCIXJHUERQ-QWRGUYRKSA-N | 3CL pro |
| -8.7 | 6vxs | DB06190 | Solabegron | LLDXOPKUNJTIRF-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12275 | Seviteronel | ZBRAJOQFSNYJMF-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB00278 | Argatroban | KXNPVXPOPUZYGB-IOVMHBDKSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB15317 | Posiphen | PBHFNBQPZCRWQP-AZUAARDMSA-N | 3CL pro |
| -8.7 | 6m2n | DB15319 | VM4-037 | QGYZPMXIVNIGKA-GMAHTHKFSA-N | 3CL pro |
| -8.7 | 6m2n | DB13470 | Cefodizime | XDZKBRJLTGRPSS-BGZQYGJUSA-N | 3CL pro |
| -8.7 | 6vxs | DB06228 | Rivaroxaban | KGFYHTZWPPHNLQ-AWEZNQCLSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB14802 | ONO-2952 | ZBQMTQGDBFZUBG-NRFANRHFSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB13471 | Nalfurafine | XGZZHZMWIXFATA-UEZBDDGYSA-N | 3CL pro |
| -8.7 | 6vxx | DB01852 | Kaempherol | IYRMWMYZSQPJKC-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB12282 | Defactinib | FWLMVFUGMHIOAA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 7bv1 | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6cs2 | DB14801 | Lanifibranor | OQDQIFQRNZIEEJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB13797 | Iodocholesterol (131I) | FIOAEFCJGZJUPW-ODFYUTSGSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB13816 | Aspoxicillin | BHELIUBJHYAEDK-OAIUPTLZSA-N | 3CL pro |
| -8.7 | 6vxx | DB02181 | 2'-Deoxyguanosine-5'-Triphosphate | HAAZLUGHYHWQIW-KVQBGUIXSA-N | spike glycoprotein |
| -8.7 | 6crv | DB13395 | Eprozinol | QSRHLIUOSXVKTG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB04097 | Uridine-5'-Diphosphate-4-Deoxy-4-Fluoro-Alpha-D-Galactose | OAPPZHVTNHJVAL-JZMIEXBBSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB01320 | Fosphenytoin | XWLUWCNOOVRFPX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m71 | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB13072 | GDC-0349 | RGJOJUGRHPQXGF-INIZCTEOSA-N | S2 unit |
| -8.7 | 6crv | DB14714 | Tenivastatin | XWLXKKNPFMNSFA-HGQWONQESA-N | spike glycoprotein |
| -8.7 | 6vxs | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB08345 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | IWUUKHQIKFHWIW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB12253 | GDC-0810 | BURHGPHDEVGCEZ-KJGLQBJMSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB09215 | Droxicam | OEHFRZLKGRKFAS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB00862 | Vardenafil | SECKRCOLJRRGGV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB13458 | Thebacon | RRJQTGHQFYTZOW-ILWKUFEGSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB09199 | Netoglitazone | PKWDZWYVIHVNKS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m3m | DB01319 | Fosamprenavir | MLBVMOWEQCZNCC-OEMFJLHTSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB13425 | Flutrimazole | QHMWCHQXCUNUAK-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6cs2 | DB15265 | USL-311 | XNUNVQKARNSSEO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB08304 | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | QZBQVXXESPXFPZ-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB00267 | Cefmenoxime | HJJDBAOLQAWBMH-YCRCPZNHSA-N | nucleocapsid protein |
| -8.7 | 6vxs | DB05553 | Regrelor | NXHAXEBZOXCDKD-XIXRRVGJSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB01812 | Adenosine-3'-5'-Diphosphate | WHTCPDAXWFLDIH-KQYNXXCUSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB13242 | Bucladesine | CJGYSWNGNKCJSB-YVLZZHOMSA-N | 3CL pro |
| -8.7 | 6vxx | DB01732 | (4r,5s,6s,7r)-1,3-Dibenzyl-4,7-Bis(Phenoxymethyl)-5,6-Dihydroxy-1,3 Diazepan-2-One | SQBOSZXDOHQFAA-ZRTHHSRSSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB01720 | (2z)-2-(Benzoylamino)-3-[4-(2-Bromophenoxy)Phenyl]-2-Propenoic Acid | WLPJLQNKCJWAFL-RGEXLXHISA-N | spike glycoprotein |
| -8.7 | 6lxt | DB12420 | Diazepinomicin | SALVHVNECODMJP-GNUCVDFRSA-N | S2 unit |
| -8.7 | 6vxs | DB06159 | Rubitecan | VHXNKPBCCMUMSW-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxx | DB06645 | Anamorelin | VQPFSIRUEPQQPP-MXBOTTGLSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB01406 | Danazol | POZRVZJJTULAOH-LHZXLZLDSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB00276 | Amsacrine | XCPGHVQEEXUHNC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB09488 | Acrivastine | PWACSDKDOHSSQD-IUTFFREVSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB14775 | Cavosonstat | BXSZILNGNMDGSL-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB13571 | Pentamycin | AGJUUQSLGVCRQA-SWOUQTJZSA-N | S2 unit |
| -8.7 | 6vxs | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB07786 | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | SMFRBBHLVBWHGB-DJJJIMSYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB00317 | Gefitinib | XGALLCVXEZPNRQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB13360 | Tolciclate | CANCCLAKQQHLNK-LSDHHAIUSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB14898 | Retagliptin | WIIAMRXFUJLYEF-SNVBAGLBSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB14649 | Dexamethasone acetate | AKUJBENLRBOFTD-RPRRAYFGSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB05838 | OPC-51803 | INGXCNVWWKKWOO-LJQANCHMSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB09268 | Picosulfuric acid | UJIDKYTZIQTXPM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB14899 | Tavapadon | AKQXQLUNFKDZBN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m71 | DB13061 | MLN8054 | HHFBDROWDBDFBR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB02338 | Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate | ACFIXJIJDZMPPO-NNYOXOHSSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m71 | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB13499 | Cefsulodin | SYLKGLMBLAAGSC-QLVMHMETSA-N | 3CL pro |
| -8.7 | 6vxs | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | ribose phosphatase of NSP3 |
| -8.7 | 7bv1 | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB02639 | 4-methylumbelliferyl alpha-D-glucoside | YUDPTGPSBJVHCN-JZYAIQKZSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB12579 | JNJ-37822681 | UVUYWJWYRLJHEN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m3m | DB01157 | Trimetrexate | NOYPYLRCIDNJJB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxx | DB00878 | Chlorhexidine | GHXZTYHSJHQHIJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB15229 | CNV-2197944 | BLFJGFDZMABYMY-ZDUSSCGKSA-N | 3CL pro |
| -8.7 | 6lxt | DB00485 | Dicloxacillin | YFAGHNZHGGCZAX-JKIFEVAISA-N | S2 unit |
| -8.7 | 6vxs | DB06311 | Darapladib | WDPFJWLDPVQCAJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB14768 | PF-06459988 | ODMXWZROLKITMS-RISCZKNCSA-N | spike glycoprotein |
| -8.7 | 6crv | DB14679 | Quingestanol acetate | FLGJKPPXEKYCBY-AKCFYGDASA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB00694 | Daunorubicin | STQGQHZAVUOBTE-VGBVRHCVSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB12448 | Lifibrol | LNXBEIZREVRNTF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB15292 | Foliglurax | ZTEDNASHAWNBKQ-NCELDCMTSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB12888 | Ezutromid | KSGCNXAZROJSNW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB13856 | Fluclorolone | VTWKPILBIUBMDS-OTJLYDAYSA-N | 3CL pro |
| -8.7 | 6cs2 | DB12147 | Erdafitinib | OLAHOMJCDNXHFI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12306 | Cipargamin | CKLPLPZSUQEDRT-WPCRTTGESA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB04154 | N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide | ALBWBHNFOJJMCV-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB14737 | Cannabinol | VBGLYOIFKLUMQG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB05944 | Varlitinib | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB01219 | Dantrolene | OZOMQRBLCMDCEG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB06469 | Lestaurtinib | UIARLYUEJFELEN-DMVVYWCZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB03791 | (3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid | NAXSRXHZFIBFMI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxx | DB07187 | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE | FXFPQPNUMWQRAO-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB00287 | Travoprost | MKPLKVHSHYCHOC-AHTXBMBWSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6cs2 | DB08437 | Puromycin | RXWNCPJZOCPEPQ-NVWDDTSBSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB13374 | Vincamine | RXPRRQLKFXBCSJ-GIVPXCGWSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB08037 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide | MYBGWENAVMIGMM-GIFXNVAJSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB12545 | Indobufen | AYDXAULLCROVIT-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB01410 | Ciclesonide | LUKZNWIVRBCLON-GXOBDPJESA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB14555 | Ursadiol | RTLXJEJRLWILSU-GWNGJUQLSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB07524 | N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine | CQFGXDQUQWRXLE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 7bv1 | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB12401 | Bromperidol | RKLNONIVDFXQRX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB15333 | AZD-1386 | FPGNKXCEPARJDI-ZDUSSCGKSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB14059 | SC-236 | NSQNZEUFHPTJME-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB08350 | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE | GYQRHHQPEMOLKH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m2n | DB14652 | Clocortolone acetate | ARPLCFGLEYFDCN-CDACMRRYSA-N | 3CL pro |
| -8.7 | 6lxt | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | S2 unit |
| -8.7 | 6m2n | DB15106 | Surufatinib | TTZSNFLLYPYKIL-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6cs2 | DB11793 | Niraparib | PCHKPVIQAHNQLW-CQSZACIVSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB07664 | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | ARIOBGGRZJITQX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 7bv1 | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB01070 | Dihydrotachysterol | ILYCWAKSDCYMBB-OPCMSESCSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxx | DB05265 | Ecabet | IWCWQNVIUXZOMJ-MISYRCLQSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB01455 | 19-Nor-5-androstenediol | VVUQRXPUVKXAIO-XFUVECHXSA-N | nucleocapsid protein |
| -8.7 | 6vxs | DB07787 | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE | PNPFDRCIGCUCMN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6lxt | DB12622 | Lupeol | MQYXUWHLBZFQQO-QGTGJCAVSA-N | S2 unit |
| -8.7 | 6vxs | DB14889 | Derazantinib | KPJDVVCDVBFRMU-AREMUKBSSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB15075 | 4-demethyl-4-cholesteryloxycarbonylpenclomedine | ZJUUIXYKTPSIOH-LEZJFEBPSA-N | ACE2 area for S-protein binding |
| -8.7 | 7bv1 | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB14644 | Methylprednisolone hemisuccinate | IMBXEJJVJRTNOW-XYMSELFBSA-N | 3CL pro |
| -8.7 | 6crv | DB13169 | Nandrolone | NPAGDVCDWIYMMC-IZPLOLCNSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB14631 | Prednisolone phosphate | JDOZJEUDSLGTLU-VWUMJDOOSA-N | 3CL pro |
| -8.7 | 6cs2 | DB13927 | anle138b | RCQIIBJSUWYYFU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m71 | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB07419 | S-23 | SSFVOEAXHZGTRJ-KRWDZBQOSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m71 | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6wiq | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | nsp7-nsp8 |
| -8.7 | 6m3m | DB00487 | Pefloxacin | FHFYDNQZQSQIAI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB00358 | Mefloquine | XEEQGYMUWCZPDN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB05316 | Pimavanserin | RKEWSXXUOLRFBX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB03181 | 2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione | RXQAVKWRCZYGMV-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB05351 | Dexlansoprazole | MJIHNNLFOKEZEW-RUZDIDTESA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB13308 | Oxametacin | AJRNYCDWNITGHF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m2n | DB14637 | Fluprednisolone acetate | CYMBAKFTWRNHPS-APRQOCPKSA-N | 3CL pro |
| -8.7 | 6vxs | DB11966 | BMS-986094 | YFXGICNMLCGLHJ-RSKRLRQZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB11971 | Vilaprisan | JUFWQQVHQFDUOD-ANRPBIDPSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m71 | DB14669 | Betamethasone phosphate | VQODGRNSFPNSQE-DVTGEIKXSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB13687 | Niaprazine | RSKQGBFMNPDPLR-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB12715 | MSX-122 | PXZXYRKDDXKDTK-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB14037 | Madecassic acid | PRAUVHZJPXOEIF-AOLYGAPISA-N | spike glycoprotein |
| -8.7 | 6m2n | DB13606 | Phenazocine | ZQHYKVKNPWDQSL-KNXBSLHKSA-N | 3CL pro |
| -8.7 | 7bv1 | DB08770 | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | PWTBZOIUWZOPFT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB04424 | RPR128515 | XFKVLKLCLYJKNF-MZNJEOGPSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxx | DB04693 | (13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE | CRDKSBHJIGNEOH-IMRIKWHGSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB01453 | Beta-hydroxyfentanyl | JEFVHLMGRUJLET-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB00178 | Ramipril | HDACQVRGBOVJII-JBDAPHQKSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB15106 | Surufatinib | TTZSNFLLYPYKIL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB11718 | Encorafenib | CMJCXYNUCSMDBY-ZDUSSCGKSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB12095 | Telotristat ethyl | MDSQOJYHHZBZKA-GBXCKJPGSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB11701 | Amenamevir | MNHNIVNAFBSLLX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB15209 | MK-0736 | ORQZQBUNAMJFCY-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB12644 | AZD-2066 | SXWHYTICXCLKDG-GFCCVEGCSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB00404 | Alprazolam | VREFGVBLTWBCJP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxs | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB12183 | Sapitinib | DFJSJLGUIXFDJP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB12746 | AKN-028 | JLRIJKVMMZEKDF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB14664 | Difluocortolone pivalate | UWGRWFCLGQWKPR-GSTUPEFVSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB13993 | MRK-409 | GOIFCXRIFSYPFG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB12150 | Pelubiprofen | AUZUGWXLBGZUPP-GXDHUFHOSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB11656 | Rebamipide | ALLWOAVDORUJLA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB12770 | Lafutidine | KMZQAVXSMUKBPD-DJWKRKHSSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB13943 | Testosterone cypionate | HPFVBGJFAYZEBE-ZLQWOROUSA-N | spike glycoprotein |
| -8.7 | 6crv | DB15205 | Capromorelin | KVLLHLWBPNCVNR-SKCUWOTOSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB12843 | Oleandrin | JLPDBLFIVFSOCC-XYXFTTADSA-N | S2 unit |
| -8.7 | 6vxs | DB12024 | PF-04418948 | LWJGMYMNSNVCEM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m2n | DB15096 | 18-methoxycoronaridine | DTJQBBHYRQYDEG-SVBQBFEESA-N | 3CL pro |
| -8.7 | 6crv | DB12392 | Resminostat | FECGNJPYVFEKOD-VMPITWQZSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB13954 | Estradiol cypionate | UOACKFBJUYNSLK-XRKIENNPSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB00904 | Ondansetron | FELGMEQIXOGIFQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB15091 | Upadacitinib | WYQFJHHDOKWSHR-MNOVXSKESA-N | 3CL pro |
| -8.7 | 6crv | DB12732 | Firategrast | YLFZHHDVRSYTKT-NRFANRHFSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxx | DB07536 | N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide | FQYBTYFKOHPWQT-VGSWGCGISA-N | spike glycoprotein |
| -8.7 | 6vxs | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB14014 | SR-9011 | PPUYOYQTTWJTIU-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6lxt | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m3m | DB00799 | Tazarotene | OGQICQVSFDPSEI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB13002 | HKI-357 | NERXPXBELDBEPZ-RMKNXTFCSA-N | S2 unit |
| -8.7 | 6vxs | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB14568 | Ivosidenib | WIJZXSAJMHAVGX-DHLKQENFSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB13994 | AZD-7325 | KYDURMHFWXCKMW-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB13954 | Estradiol cypionate | UOACKFBJUYNSLK-XRKIENNPSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB12163 | Sarpogrelate | FFYNAVGJSYHHFO-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB13060 | CEP-37440 | BCSHRERPHLTPEE-NRFANRHFSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB08513 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | PAIQRYUOBBCBSE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB08697 | 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide | JDYIYIRPQKMWMM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB00561 | Doxapram | XFDJYSQDBULQSI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB00973 | Ezetimibe | OLNTVTPDXPETLC-XPWALMASSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB13552 | Trifluperidol | GPMXUUPHFNMNDH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB15362 | LSZ-102 | SJXNPGGVGZXKKI-NYYWCZLTSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m71 | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB07889 | (2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol | VCPXSBULBDYRLT-SFHVURJKSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6lxt | DB12973 | Serlopitant | FLNYCRJBCNNHRH-OIYLJQICSA-N | S2 unit |
| -8.7 | 6vxs | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB07692 | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine | SHWNKRPMUBFWKE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB12890 | Dihydrexidine | BGOQGUHWXBGXJW-YOEHRIQHSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB13397 | Prenoxdiazine | PXZDWASDNFWKSD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 7bv1 | DB13397 | Prenoxdiazine | PXZDWASDNFWKSD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB12412 | Gemigliptin | ZWPRRQZNBDYKLH-VIFPVBQESA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB11870 | RG-4733 | OJPLJFIFUQPSJR-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB14208 | Ramiprilat | KEDYTOTWMPBSLG-HILJTLORSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB12408 | PF-03635659 | WGOJWDWKHJHXSV-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB15297 | Petesicatib | KXAAIORSMACJSI-AEFFLSMTSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB15282 | Fluorofuranylnorprogesterone F-18 | VJKRBRUNEOHPBS-JQKUZGBFSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB12645 | Givinostat | YALNUENQHAQXEA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 7bv1 | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m71 | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB12623 | Taprenepag | MFFBXYNKZHTCEY-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB00354 | Buclizine | MOYGZHXDRJNJEP-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB04849 | Cediranib | XXJWYDDUDKYVKI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6lxt | DB00834 | Mifepristone | VKHAHZOOUSRJNA-GCNJZUOMSA-N | S2 unit |
| -8.7 | 6vxs | DB07081 | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | FDEXEPZGMKFCTG-PSASIEDQSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6wiq | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | nsp7-nsp8 |
| -8.7 | 6vxs | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB12515 | 9-aminocamptothecin | FUXVKZWTXQUGMW-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m3m | DB00327 | Hydromorphone | WVLOADHCBXTIJK-YNHQPCIGSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB00276 | Amsacrine | XCPGHVQEEXUHNC-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6vxs | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxx | DB07638 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL | QJSMFUTULGSHNQ-ZOBUZTSGSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m2n | DB13651 | Lorajmine | LAHDERDHXJFFJU-ZWNKPRIXSA-N | 3CL pro |
| -8.7 | 6vxs | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB08657 | 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID | SSXCWVOQWRUMGN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB11966 | BMS-986094 | YFXGICNMLCGLHJ-RSKRLRQZSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB15450 | PF-05105679 | BXNMZRPTQFVRFA-QGZVFWFLSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB14828 | ABX-464 | OZOGDCZJYVSUBR-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB12562 | Setipiprant | IHAXLPDVOWLUOS-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6crv | DB14841 | Centanafadine | HKHCSWPSUSWGLI-CABCVRRESA-N | spike glycoprotein |
| -8.7 | 6vxs | DB04690 | Camptothecin | VSJKWCGYPAHWDS-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB07689 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | NYNAFINLHQEHKU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxx | DB05465 | Tandutinib | UXXQOJXBIDBUAC-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB13936 | JNJ-28330835 | RYBKPGYFXRNMMU-LBPRGKRZSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m3m | DB00502 | Haloperidol | LNEPOXFFQSENCJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB12693 | Ritanserin | JUQLTPCYUFPYKE-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6vxs | DB13941 | Piperaquine | UCRHFBCYFMIWHC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB15124 | PF-05241328 | RVTSXVZXEGFIPW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB00932 | Tipranavir | SUJUHGSWHZTSEU-FYBSXPHGSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB02932 | (R)-Bicalutamide | LKJPYSCBVHEWIU-KRWDZBQOSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB15120 | GSK-239512 | YFRBKEVUUCQYOW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB14093 | (1,2,6,7-3H)Testosterone | MUMGGOZAMZWBJJ-JQSYSRDDSA-N | spike glycoprotein |
| -8.7 | 6crv | DB13616 | Melagatran | DKWNMCUOEDMMIN-PKOBYXMFSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB15108 | Tipranavir C-14 | SUJUHGSWHZTSEU-MWQIXQBFSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB01060 | Amoxicillin | LSQZJLSUYDQPKJ-NJBDSQKTSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB13327 | Picotamide | KYWCWBXGRWWINE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB07271 | 4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one | RMDAPSXWBVPVOG-IAPIXIRKSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6crv | DB15346 | GLPG-1205 | IRBAWVGZNJIROV-SFHVURJKSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB03154 | {[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid | VHKBLEYUHBIBNR-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxs | DB07855 | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | CWHMAWBXRCDOEB-HNNXBMFYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB08588 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | OYNURZXTLNNKAP-QGZVFWFLSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12500 | Fedratinib | JOOXLOJCABQBSG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m71 | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB13587 | Mesterolone | UXYRZJKIQKRJCF-TZPFWLJSSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB07685 | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | NMAZGYDYIYLSLJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB14544 | Hydrocortisone valerate | FZCHYNWYXKICIO-FZNHGJLXSA-N | 3CL pro |
| -8.7 | 6vxs | DB04689 | 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | ZXWVCCFKIRBLDP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxs | DB15241 | Methylsamidorphan | ATCVVCBJNHXIEX-ZAHKBLQYSA-O | ribose phosphatase of NSP3 |
| -8.7 | 6vxs | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m3m | DB01219 | Dantrolene | OZOMQRBLCMDCEG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB11878 | Filibuvir | SLVAPEZTBDBAPI-GDLZYMKVSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB15141 | Deutivacaftor | PURKAOJPTOLRMP-ASMGOKTBSA-N | 3CL pro |
| -8.7 | 6vxs | DB08553 | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | KWEFZSZCLBHIEQ-YYADALCUSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6cs2 | DB13919 | Candesartan | HTQMVQVXFRQIKW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB13182 | Daidzein | ZQSIJRDFPHDXIC-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB03148 | Phosphomethylphosphonic Acid Adenosyl Ester | OLCWZBFDIYXLAA-IOSLPCCCSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | 3CL pro |
| -8.7 | 6crv | DB14075 | Imidurea | ZCTXEAQXZGPWFG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxs | DB07426 | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | NWIARQRYIRVYCM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.7 | 6m71 | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB03744 | Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate | RONLONYAIBUEKT-IBGZPJMESA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | PL pro |
| -8.7 | 6w4b | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | nsp9 |
| -8.7 | 6w9c | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB07065 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine | AHPKUZJCNHGFQA-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m2n | DB09198 | Lobeglitazone | CHHXEZSCHQVSRE-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB07066 | 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | LJAHIGGEXIWVJG-LLVKDONJSA-N | PL pro |
| -8.7 | 6m3m | DB04514 | Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester | DFYLLEBFVZTKHD-VMIOUTBZSA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB01327 | Cefazolin | MLYYVTUWGNIJIB-BXKDBHETSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 1r42 | DB02555 | SP4160 | VCXMTWSYQSVWRK-AREMUKBSSA-N | ACE2 area with important AAs |
| -8.7 | 6w9c | DB07081 | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | FDEXEPZGMKFCTG-PSASIEDQSA-N | PL pro |
| -8.7 | 7bv1 | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB09209 | Pholcodine | GPFAJKDEDBRFOS-FKQDBXSBSA-N | 3CL pro |
| -8.7 | 6crv | DB08039 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | LOGJQOUIVKBFGH-YBEGLDIGSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m71 | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB08052 | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | NVRXTLZYXZNATH-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6cs2 | DB01340 | Cilazapril | HHHKFGXWKKUNCY-FHWLQOOXSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB08029 | N-2-(biphenyl-4-ylsulfonyl)-N-hydroxy-N-2-(2-hydroxyethyl)glycinamide | QQDWEVONJRXVDB-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB08001 | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID | DQSRCEFDWMQCCV-GQCTYLIASA-N | spike glycoprotein |
| -8.7 | 6lxt | DB11979 | Elagolix | HEAUOKZIVMZVQL-VWLOTQADSA-N | S2 unit |
| -8.7 | 6m2n | DB06140 | SUVN-502 | GWCYPEHWIZXYFZ-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB06875 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | NSSOSHDCWCMNDM-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m71 | DB00734 | Risperidone | RAPZEAPATHNIPO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB06897 | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol | MMGKIHLBFPJYJL-HNNXBMFYSA-N | PL pro |
| -8.7 | 6m2n | DB09038 | Empagliflozin | OBWASQILIWPZMG-QZMOQZSNSA-N | 3CL pro |
| -8.7 | 6m71 | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB03199 | 4-Methoxy-E-Rhodomycin T | XSSVYBYWQBNYOH-QJIXERIWSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB07937 | 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine | UGZWPZWADDDTRN-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB00875 | Flupentixol | NJMYODHXAKYRHW-DVZOWYKESA-N | 3CL pro |
| -8.7 | 7bv1 | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB06994 | (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine | XCCSSVMRGIQMGF-LPHOPBHVSA-N | PL pro |
| -8.7 | 6w9c | DB06995 | N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide | USBSTVPJNQLYEM-UHFFFAOYSA-N | PL pro |
| -8.7 | 6crv | DB07976 | 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID | GIUMGVUBDBDTDX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB00894 | Testolactone | BPEWUONYVDABNZ-DZBHQSCQSA-N | 3CL pro |
| -8.7 | 6m71 | DB01180 | Rescinnamine | SZLZWPPUNLXJEA-LAFLMMDJSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB03126 | Mant-Adp | QPKUEBLEGWBRHC-BFHYXJOUSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB07011 | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | HHOPJGKEAIIIDF-FQEVSTJZSA-N | PL pro |
| -8.7 | 6w9c | DB07014 | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole | TUTZKAQTSPMEBI-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w4b | DB06638 | Quarfloxin | WOQIDNWTQOYDLF-CGAIIQECSA-N | nsp9 |
| -8.7 | 6w9c | DB07021 | (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine | SOSYXEPELJIJHZ-RNCFNFMXSA-N | PL pro |
| -8.7 | 6crv | DB07965 | 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile | OGODDSLNRULSMM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB08706 | (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID | RNEACARJKXYVND-MZLJFPOFSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | OWXORKPNCHJYOF-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB07146 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE | QUIQCYFSBGOBKE-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB02932 | (R)-Bicalutamide | LKJPYSCBVHEWIU-KRWDZBQOSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB07183 | N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide | CPVRYQAOUPSUDO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB07323 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | CTZLIARLNXSXGL-ALCCZGGFSA-N | PL pro |
| -8.7 | 6m3m | DB08496 | (R)-warfarin | PJVWKTKQMONHTI-HNNXBMFYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB08490 | CTS-1027 | ROSNVSQTEGHUKU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lzg | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m3m | DB08488 | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE | PLWVUIRWJVKSSD-XBXARRHUSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB15356 | SLV-334 | LOFDNSDPZTVIIO-VPUSJEBWSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB08351 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | MNEXDVSJIUQQRH-UHFFFAOYSA-N | S2 unit |
| -8.7 | 7bv1 | DB12812 | Palomid 529 | YEAHTLOYHVWAKW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 7bv1 | DB07426 | [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | NWIARQRYIRVYCM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB14993 | Pyrotinib | SADXACCFNXBCFY-IYNHSRRRSA-N | S2 unit |
| -8.7 | 6w9c | DB07432 | [[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate | ITVRELFVFCOUMV-ZVZWZHPPSA-N | PL pro |
| -8.7 | 6lxt | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | S2 unit |
| -8.7 | 6m71 | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB02554 | Sulfoquinovose-Uridine-C1,5'-Diphosphate | FQANCGQCBCUSMI-JZMIEXBBSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB07453 | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | VFMMPHCGEFXGIP-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m71 | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB07395 | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | NWQGDIBCFLDHDO-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB07131 | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide | DOTBZTLJSXFKCP-IBGZPJMESA-N | PL pro |
| -8.7 | 6w4b | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | nsp9 |
| -8.7 | 6lxt | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m71 | DB01792 | Adenylyl-3'-5'-Phospho-Uridine-3'-Monophosphate | FZCSEXOMUJFOHQ-KPKSGTNCSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lzg | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w4b | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | nsp9 |
| -8.7 | 6m2n | DB00910 | Paricalcitol | BPKAHTKRCLCHEA-UBFJEZKGSA-N | 3CL pro |
| -8.7 | 6crv | DB02673 | (4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium | VLGAHTYYCHWLNI-BHRZLAGCSA-N | spike glycoprotein |
| -8.7 | 6crv | DB08122 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | IKASAFLVQIJQOK-UVTDQMKNSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB05611 | Apilimod | HSKAZIJJKRAJAV-KOEQRZSOSA-N | 3CL pro |
| -8.7 | 6crv | DB02659 | Cholic Acid | BHQCQFFYRZLCQQ-OELDTZBJSA-N | spike glycoprotein |
| -8.7 | 6w4b | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | nsp9 |
| -8.7 | 6crv | DB08146 | 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine | QFWNOFXQNCLFBC-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6crv | DB02628 | 1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide | JUJIMRZGUBTJRV-NASSWSRMSA-N | spike glycoprotein |
| -8.7 | 6wiq | DB04289 | Genz-10850 | YYMZSGIXLQPFAC-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.7 | 6lxt | DB06263 | Amrubicin | VJZITPJGSQKZMX-XDPRQOKASA-N | S2 unit |
| -8.7 | 6w4b | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | nsp9 |
| -8.7 | 6w9c | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m71 | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | PL pro |
| -8.7 | 6crv | DB02610 | N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide | LRKSHOLYETXPGY-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB08503 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | HRCKGDOSPBFICB-MZHQWRCYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB02639 | 4-methylumbelliferyl ??-D-glucoside | YUDPTGPSBJVHCN-JZYAIQKZSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB01659 | 3-(1,10-Phenanthrol-2-Yl)-L-Alanine | LODBCIBKOKOGNL-LBPRGKRZSA-N | ACE2 area for S-protein binding |
| -8.7 | 6lzg | DB07549 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | WOYBPRBUPLYTPY-UHFFFAOYSA-P | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w9c | DB06730 | Gestodene | SIGSPDASOTUPFS-XUDSTZEESA-N | PL pro |
| -8.7 | 6w9c | DB04669 | TRIAZOLOPYRIMIDINE | YWBFPKPWMSWWEA-UHFFFAOYSA-O | PL pro |
| -8.7 | 6w9c | DB04716 | 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE | VNDWQCSOSCCWIP-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w4b | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | nsp9 |
| -8.7 | 6m3m | DB08954 | Ifenprodil | UYNVMODNBIQBMV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB15319 | VM4-037 | QGYZPMXIVNIGKA-GMAHTHKFSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB04791 | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | DKBAWRNTUZFJKV-BSDSXHPESA-N | PL pro |
| -8.7 | 6w9c | DB04792 | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | CDEVHSIVANGYRI-XMTFNYHQSA-N | PL pro |
| -8.7 | 6m3m | DB08942 | Isoxicam | YYUAYBYLJSNDCX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB08057 | N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine | VWJPPYCULHDHBB-HNNXBMFYSA-N | S2 unit |
| -8.7 | 6m2n | DB06362 | Becatecarin | JSKFWUPVIZYJMR-UDOAKELVSA-N | 3CL pro |
| -8.7 | 6m2n | DB08742 | 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z) | CEEUUHVULXTFGS-BQXVGYHGSA-N | 3CL pro |
| -8.7 | 6crv | DB07589 | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N-2-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE | DWWVPKCSDHDILN-OALUTQOASA-N | spike glycoprotein |
| -8.7 | 6m3m | DB08916 | Afatinib | ULXXDDBFHOBEHA-CWDCEQMOSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB07608 | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | JDGOPNUGILVNJZ-IBGZPJMESA-N | spike glycoprotein |
| -8.7 | 6crv | DB07612 | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE | XQKJVNGGVLHNLA-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w4b | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | nsp9 |
| -8.7 | 6lxt | DB15169 | H3B-6527 | MBWRLLRCTIYXDW-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB04861 | Nebivolol | KOHIRBRYDXPAMZ-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB04971 | Reglitazar | QBQLYIISSRXYKL-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m2n | DB06446 | Dotarizine | LRMJAFKKJLRDLE-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB08974 | Flubendazole | CPEUVMUXAHMANV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB04471 | 2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | FMWVCTJKLAVRPB-MUUNZHRXSA-N | PL pro |
| -8.7 | 6lxt | DB06922 | 2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CZNPWASYMRBJCX-GOSISDBHSA-N | S2 unit |
| -8.7 | 6lzg | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6crv | DB07458 | 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-KRWDZBQOSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB04540 | Cholesterol | HVYWMOMLDIMFJA-DPAQBDIFSA-N | PL pro |
| -8.7 | 6crv | DB07459 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | HVLSCZSVTCNAQX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lzg | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB08613 | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL | OFBFUNBBOQCNFX-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6crv | DB07469 | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | KAJFGRLMKVNMLH-GOSISDBHSA-N | spike glycoprotein |
| -8.7 | 6w4b | DB15308 | Ridinilazole | UHQFBTAJFNVZIV-UHFFFAOYSA-N | nsp9 |
| -8.7 | 6crv | DB07470 | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | DOMYOVZXZIZTRD-QGZVFWFLSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB15221 | PF-06260414 | ZKAVFOXYJCREBQ-SNVBAGLBSA-N | nucleocapsid protein |
| -8.7 | 6lzg | DB07966 | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | NVMCVWOODOWOLT-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w4h | DB00158 | Folic acid | OVBPIULPVIDEAO-LBPRGKRZSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB07479 | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL | WCUHTHVUZQCBTI-KBAYOESNSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB08657 | 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID | SSXCWVOQWRUMGN-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB04612 | N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | QKPXPZYQPBWDHS-MCJAPYMPSA-N | PL pro |
| -8.7 | 6w4b | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | nsp9 |
| -8.7 | 6m3m | DB15242 | MK-0533 | STWITCBWQHTJFJ-XMMPIXPASA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB00197 | Troglitazone | GXPHKUHSUJUWKP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lxt | DB15092 | LY-2624803 | UEFWDVMEDFCHGW-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6lxt | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m3m | DB04409 | Naphthalene Trisulfonate | ZPBSAMLXSQCSOX-UHFFFAOYSA-K | nucleocapsid protein |
| -8.7 | 6m71 | DB00444 | Teniposide | NRUKOCRGYNPUPR-QBPJDGROSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB02976 | Uridine-5'-monophosphate 2-deoxy-2-fluoro-galactopyranosyl-monophosphate ester | NGTCPFGWXMBZEP-KBQKSTHMSA-N | spike glycoprotein |
| -8.7 | 6crv | DB07791 | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE | MZWCVBFANHIPTJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB06213 | Regadenoson | LZPZPHGJDAGEJZ-AKAIJSEGSA-N | 3CL pro |
| -8.7 | 6m3m | DB08770 | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | PWTBZOIUWZOPFT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB03234 | (4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone | YATCZCSDJCQNAL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB07801 | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | WOYITRCGMUXUDE-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB00846 | Flurandrenolide | POPFMWWJOGLOIF-XWCQMRHXSA-N | 3CL pro |
| -8.7 | 6w9c | DB06347 | Cenisertib | KSOVGRCOLZZTPF-QMKUDKLTSA-N | PL pro |
| -8.7 | 6m2n | DB08916 | Afatinib | ULXXDDBFHOBEHA-CWDCEQMOSA-N | 3CL pro |
| -8.7 | 6m71 | DB00559 | Bosentan | GJPICJJJRGTNOD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB06718 | Stanozolol | LKAJKIOFIWVMDJ-IYRCEVNGSA-N | S2 unit |
| -8.7 | 6m2n | DB08934 | Sofosbuvir | TTZHDVOVKQGIBA-IQWMDFIBSA-N | 3CL pro |
| -8.7 | 6lxt | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB06629 | Zibotentan | FJHHZXWJVIEFGJ-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB06645 | Anamorelin | VQPFSIRUEPQQPP-MXBOTTGLSA-N | PL pro |
| -8.7 | 6m2n | DB08962 | Glibornuride | RMTYNAPTNBJHQI-LLDVTBCESA-N | 3CL pro |
| -8.7 | 6w9c | DB06652 | Vicriviroc | CNPVJJQCETWNEU-CYFREDJKSA-N | PL pro |
| -8.7 | 6crv | DB02854 | Aetiocholanolone | QGXBDMJGAMFCBF-BNSUEQOYSA-N | spike glycoprotein |
| -8.7 | 6w4b | DB08450 | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine | HNHRWNUXTCATSG-UHFFFAOYSA-N | nsp9 |
| -8.7 | 7bv1 | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB07648 | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL | TWEONIHFGKSPLC-MRXNPFEDSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB06747 | ginkgolide-M | KDKROYXEHCYLJQ-FJFAJXJPSA-N | S2 unit |
| -8.7 | 6lxt | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB05212 | HE3286 | JJKOQZHWYLMASZ-FJWDNACWSA-N | PL pro |
| -8.7 | 6m2n | DB08791 | 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE | USLOIFPDNUDIEG-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB08820 | Ivacaftor | PURKAOJPTOLRMP-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6crv | DB03084 | Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | XCTKFTOEAKJMII-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB15460 | AGG-523 | JWQMTWCFNZSLNR-DEOSSOPVSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB08860 | Pitavastatin | VGYFMXBACGZSIL-MCBHFWOFSA-N | 3CL pro |
| -8.7 | 6w4b | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | nsp9 |
| -8.7 | 6crv | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB03311 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide | SXKBTDJJEQQEGE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB07769 | S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | KJMFOTCDISOHDX-INIZCTEOSA-N | spike glycoprotein |
| -8.7 | 6lzg | DB02629 | Inhibitor Bea403 | LYHLPPXMBKMSSZ-JQFCFGFHSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6lxt | DB11950 | Teneligliptin | WGRQANOPCQRCME-PMACEKPBSA-N | S2 unit |
| -8.7 | 6w9c | DB05399 | Succinobucol | RKSMVPNZHBRNNS-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w4b | DB12042 | Ibodutant | YQYSVMKCMIUCHY-WJOKGBTCSA-N | nsp9 |
| -8.7 | 6w9c | DB05424 | Canertinib | OMZCMEYTWSXEPZ-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB06117 | 1alpha,24S-Dihydroxyvitamin D2 | ODZFJAXAEXQSKL-WRJREGAQSA-N | PL pro |
| -8.7 | 6crv | DB07751 | (2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol | ZVSBKYYVBCKDBO-HNNXBMFYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB06267 | Udenafil | IYFNEFQTYQPVOC-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lxt | DB06849 | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine | RQWYWHUKHYFIPB-VQHVLOKHSA-N | S2 unit |
| -8.7 | 6w9c | DB06228 | Rivaroxaban | KGFYHTZWPPHNLQ-AWEZNQCLSA-N | PL pro |
| -8.7 | 6crv | DB07707 | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL | LEOPSILMAOYZBO-IUTAEKPZSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB14982 | Miransertib | HNFMVVHMKGFCMB-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m3m | DB08439 | Parecoxib | TZRHLKRLEZJVIJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB07546 | [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid | BBYRUZKRFAIQSR-UHFFFAOYSA-N | PL pro |
| -8.7 | 6crv | DB01990 | Cholesterol sulfate | BHYOQNUELFTYRT-DPAQBDIFSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB04690 | Camptothecin | VSJKWCGYPAHWDS-FQEVSTJZSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB08531 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CVYWYUAQFJMLEO-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB07971 | 5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE | FQQVTDIBUYSVHM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB11784 | NRX-1074 | DVBUEXCIEIAXPM-PJUQSVSOSA-N | 3CL pro |
| -8.7 | 6vxx | DB11751 | Cabotegravir | WCWSTNLSLKSJPK-LKFCYVNXSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01967 | N-{3-[(7ar,12as,12bs)-7-Oxo-1,3,4,6,7,7a,12a,12b-Octahydroindolo[2,3-a]Quinolizin-12(2h)-Yl]Propyl}Propane-2-Sulfonamide | LICJTIDRHJECTD-SFHVURJKSA-N | spike glycoprotein |
| -8.7 | 6crv | DB08539 | 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CCDIUVLNHCGSMH-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB11701 | Amenamevir | MNHNIVNAFBSLLX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB02001 | 5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine | CZLWCJRHDBTCGQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB11698 | Ipragliflozin | AHFWIQIYAXSLBA-RQXATKFSSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB08710 | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE | BKZOQCGDCHOGOQ-MZLJFPOFSA-N | PL pro |
| -8.7 | 6m3m | DB07944 | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE | MPTWCWHNLVMCRW-UHFFFAOYSA-O | nucleocapsid protein |
| -8.7 | 6vxx | DB11679 | Fruquintinib | BALLNEJQLSTPIO-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB11666 | Buparlisib | CWHUFRVAEUJCEF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB11622 | Dehydrocholic acid | OHXPGWPVLFPUSM-KLRNGDHRSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB07933 | Erteberel | XIESSJVMWNJCGZ-VKJFTORMSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB09295 | Talniflumate | ANMLJLFWUCQGKZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB09290 | Ramosetron | NTHPAPBPFQJABD-LLVKDONJSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB08916 | Afatinib | ULXXDDBFHOBEHA-CWDCEQMOSA-N | PL pro |
| -8.7 | 6m3m | DB07946 | N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide | DZEJHPMTDNDECN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB08931 | Riociguat | WXXSNCNJFUAIDG-UHFFFAOYSA-N | PL pro |
| -8.7 | 6crv | DB08521 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | CDMGBJANTYXAIV-HHHXNRCGSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB12412 | Gemigliptin | ZWPRRQZNBDYKLH-VIFPVBQESA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB02628 | 1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide | JUJIMRZGUBTJRV-NASSWSRMSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB12234 | BMS-214662 | OLCWFLWEHWLBTO-HSZRJFAPSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB04664 | Cyclohexyl-pentyl-maltoside | RVTGFZGNOSKUDA-ZNGNCRBCSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB12203 | Tozadenant | XNBRWUQWSKXMPW-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB04908 | Flibanserin | PPRRDFIXUUSXRA-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 7bv1 | DB14034 | Darglitazone | QQKNSPHAFATFNQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB08064 | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | NTMADESEDXKNFZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB02602 | AL7182 | ICIXQGGQPKFQRL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB08539 | 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CCDIUVLNHCGSMH-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB12114 | Poziotinib | LPFWVDIFUFFKJU-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB12082 | Vesnarinone | ZVNYJIZDIRKMBF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB08429 | N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | QRGBOABBMKYMLG-UXHICEINSA-N | PL pro |
| -8.7 | 6lzg | DB06543 | Astaxanthin | MQZIGYBFDRPAKN-UWFIBFSHSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB04892 | Phenserine | PBHFNBQPZCRWQP-QUCCMNQESA-N | 3CL pro |
| -8.7 | 6vxx | DB12063 | CERC-301 | RECBFDWSXWAXHY-IAGOWNOFSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB08485 | (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID | QMNMNSINKIFYBV-LMMKCTJWSA-N | PL pro |
| -8.7 | 6m3m | DB08023 | N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine | HYNNWLVWJXWXFO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB07999 | {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID | IXLBOIRSEDMRPI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | ACE2 area for S-protein binding |
| -8.7 | 6lxt | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6crv | DB02106 | [3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid | KIRQJXNQGZAKGR-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB11824 | Tofogliflozin | VWVKUNOPTJGDOB-BDHVOXNPSA-N | 3CL pro |
| -8.7 | 6w9c | DB08993 | Enviomycin | HPWIIERXAFODPP-GHBBWTPBSA-N | PL pro |
| -8.7 | 6w9c | DB11521 | Imidocarb | SCEVFJUWLLRELN-UHFFFAOYSA-N | PL pro |
| -8.7 | 6cs2 | DB02915 | 4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine | MEZFDQUDLQCVNX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB07763 | (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE | OZZFJGCAYWBVBI-INIZCTEOSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB08701 | 2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE | JZCUVYNOSDWORZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB06178 | Talotrexin | NYQPLPNEESYGNO-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB01765 | (5-Oxo-5,6-Dihydro-Indolo[1,2-a]Quinazolin-7-Yl)-Acetic Acid | INSBKYCYLCEBOD-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB11656 | Rebamipide | ALLWOAVDORUJLA-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m71 | DB06274 | Alvimopan | UPNUIXSCZBYVBB-JVFUWBCBSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB11912 | Lanopepden | SWHNZGMQMGFQGW-MSOLQXFVSA-N | 3CL pro |
| -8.7 | 6m2n | DB11900 | OC-459 | FATGTHLOZSXOBC-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB02398 | 6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine | NLBDETRVUYOIHQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB14795 | AZD-3759 | MXDSJQHFFDGFDK-CYBMUJFWSA-N | S2 unit |
| -8.7 | 6crv | DB08724 | 5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole | UXIYKMARWUSIKU-HNNXBMFYSA-N | spike glycoprotein |
| -8.7 | 6lzg | DB04881 | Elacridar | OSFCMRGOZNQUSW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6vxx | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | RUUOIINPNMNPIU-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB08730 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE | CPFBZMFUCGHBAP-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01748 | N-Benzyl-4-Sulfamoyl-Benzamide | CZKNSZUJCJHTTM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB08197 | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime | KYIXUSLGFINPTC-WVFAEZDRSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB08191 | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | KSFDVNIKNYXUIP-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01755 | N-[Isoleucinyl]-N'-[Adenosyl]-Diaminosufone | XVTRBLLRODNOJV-VBJYJYTRSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB09209 | Pholcodine | GPFAJKDEDBRFOS-FKQDBXSBSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB08588 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | OYNURZXTLNNKAP-QGZVFWFLSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB08614 | 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE | MYFMPKCOIMRDDD-KRWDZBQOSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | S2 unit |
| -8.7 | 6m3m | DB02507 | 4-Hydroxy-3-[(1s)-3-Oxo-1-Phenylbutyl]-2h-Chromen-2-One | PJVWKTKQMONHTI-HNNXBMFYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB07835 | N-3-cyclopropyl-N-4-'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide | BOPSUAHGQHFKGG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB09078 | Lenvatinib | WOSKHXYHFSIKNG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB01070 | Dihydrotachysterol | ILYCWAKSDCYMBB-OPCMSESCSA-N | 3CL pro |
| -8.7 | 6m71 | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB09183 | Dasabuvir | NBRBXGKOEOGLOI-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB04298 | 3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One | ZEBFKFGJWHOOST-LJAQVGFWSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 7bv1 | DB11592 | Nitrocefin | LHNIIDJCEODSHA-OQRUQETBSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | 3CL pro |
| -8.7 | 6w9c | DB09238 | Manidipine | ANEBWFXPVPTEET-UHFFFAOYSA-N | PL pro |
| -8.7 | 6cs2 | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB02491 | 4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine | CJSSYVIHFXDFFC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB02833 | [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine | DYTKVFHLKPDNRW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB04690 | Camptothecin | VSJKWCGYPAHWDS-FQEVSTJZSA-N | 3CL pro |
| -8.7 | 6vxx | DB08710 | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE | BKZOQCGDCHOGOQ-MZLJFPOFSA-N | spike glycoprotein |
| -8.7 | 6lzg | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB04651 | BIOTINOL-5-AMP | KBOGUFFJCBPJEH-SQGSUPJISA-N | 3CL pro |
| -8.7 | 6m3m | DB04725 | Licofelone | UAWXGRJVZSAUSZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | S2 unit |
| -8.7 | 7bv1 | DB11925 | Vistusertib | JUSFANSTBFGBAF-IRXDYDNUSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m71 | DB04158 | 6-(Adenosine Tetraphosphate-Methyl)-7,8-Dihydropterin | ZKRKFZJAQKKHKL-SUGPNEFASA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB02636 | 9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol[3,4-D][1,3]Dioxole-5-Carboxylic Acid | UCLGCTLOEZZSLA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB13606 | Phenazocine | ZQHYKVKNPWDQSL-KNXBSLHKSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB07917 | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE | TZQGXAHOROZEKN-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB02804 | A-98881 | PMBZSBGCSQGJAQ-GRKNLSHJSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB02329 | Carbenoxolone | OBZHEBDUNPOCJG-WBXJDKIVSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB11582 | Thiocolchicoside | LEQAKWQJCITZNK-AXHKHJLKSA-N | 3CL pro |
| -8.7 | 6m3m | DB08229 | [N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID | JGMMFVVACJREFE-KRWDZBQOSA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB13643 | Loprazolam | UTEFBSAVJNEPTR-RGEXLXHISA-N | spike glycoprotein |
| -8.7 | 6m3m | DB04609 | INHIBITOR Q8467 OF DUPONT MERCK | HFLCERPZYCWLSZ-VKONIRKNSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB14899 | Tavapadon | AKQXQLUNFKDZBN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB02319 | 5,6-Dihydroxy-Nadp | LRAVAOPKUBJONV-IVCJQJMGSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB03331 | N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | OARVXDFNTLYMCJ-JVUUKAHWSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB13371 | Difenpiramide | PWHROYKAGRUWDQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6crv | DB08352 | 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine | FQYJTHIYAQQJAB-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB03383 | 5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide | YDCGVASFVACWKF-NRFANRHFSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB08195 | (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE | YKWHKILAGONYKL-HNNXBMFYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB07999 | {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID | IXLBOIRSEDMRPI-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB08173 | 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE | UCKHUNHXYMAFQM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB08011 | (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime | DXIHOIDYHQSQKJ-HMMYKYKNSA-N | PL pro |
| -8.7 | 6w9c | DB07967 | 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE | JJNKDTWKWYLERH-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB04615 | (S)-tacrine(10)-hupyridone | ROTFGKJJMRTWBD-MHZLTWQESA-N | nucleocapsid protein |
| -8.7 | 6crv | DB02358 | LY374571 | SZHRIPFGZWWRKW-VIFPVBQESA-N | spike glycoprotein |
| -8.7 | 6w9c | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB14765 | Rivoceranib | WPEWQEMJFLWMLV-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB08236 | (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one | KEGQNJITMFBVAC-HNNXBMFYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB05408 | Emricasan | SCVHJVCATBPIHN-SJCJKPOMSA-N | 3CL pro |
| -8.7 | 6cs2 | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB14723 | Larotrectinib | NYNZQNWKBKUAII-KBXCAEBGSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB07616 | 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid | LKZZDHKJFDTYCH-UHFFFAOYSA-N | PL pro |
| -8.7 | 6lxt | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6lxt | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m3m | DB02861 | 4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide | DEHMSTGBNAXEGX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB13828 | Cyfluthrin | QQODLKZGRKWIFG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB08390 | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE | AKNIHFDXRAOPAI-NRFANRHFSA-N | nucleocapsid protein |
| -8.7 | 6cs2 | DB01767 | Hemi-Babim | KKJYVDXDZURHMA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB14631 | Prednisolone phosphate | JDOZJEUDSLGTLU-VWUMJDOOSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB05294 | Vandetanib | UHTHHESEBZOYNR-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB04576 | Fleroxacin | XBJBPGROQZJDOJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB13941 | Piperaquine | UCRHFBCYFMIWHC-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB08282 | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate | BWRRXOIACQYNEK-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB08315 | 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE | KIJXWOGFYAWTNC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB13919 | Candesartan | HTQMVQVXFRQIKW-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB13866 | Etynodiol | JYILPERKVHXLNF-QMNUTNMBSA-N | spike glycoprotein |
| -8.7 | 6crv | DB08244 | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE | VCOUEHUEFUDZIS-PMACEKPBSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB00990 | Exemestane | BFYIZQONLCFLEV-DAELLWKTSA-N | 3CL pro |
| -8.7 | 6w9c | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | PL pro |
| -8.7 | 6m3m | DB04616 | TACRINE(8)-4-AMINOQUINOLINE | UNVOAAWEEGAXTN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB08399 | PICEATANNOL | CDRPUGZCRXZLFL-OWOJBTEDSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB12654 | GSK-376501 | OIDYMQICWGYEDR-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB04651 | BIOTINOL-5-AMP | KBOGUFFJCBPJEH-SQGSUPJISA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB08422 | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE | GEIDRYBJURDUSW-MOPGFXCFSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB08099 | 6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine | UOYVKYJWAXJTTE-NRFANRHFSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB14069 | ONT-093 | RSJCLODJSVZNQA-BQYQJAHWSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB04872 | Osanetant | DZOJBGLFWINFBF-UMSFTDKQSA-N | S2 unit |
| -8.7 | 6w9c | DB08322 | 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID | VJLMRHSHSNLOGC-NOPZTHQXSA-N | PL pro |
| -8.7 | 7bv1 | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | 3CL pro |
| -8.7 | 6m71 | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB04957 | Azimilide | MREBEPTUUMTTIA-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lxt | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | S2 unit |
| -8.7 | 6m3m | DB02656 | LY-294002 | CZQHHVNHHHRRDU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB08360 | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | BIFHJPUTQBOBGJ-UHFFFAOYSA-N | PL pro |
| -8.7 | 6lxt | DB14885 | PF-05180999 | CLGCHUKGBICQTE-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB08304 | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | QZBQVXXESPXFPZ-QGZVFWFLSA-N | PL pro |
| -8.7 | 6w9c | DB08242 | N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | OYTBZXSFNNAVKU-UHFFFAOYSA-N | PL pro |
| -8.7 | 6crv | DB02187 | Equilin | WKRLQDKEXYKHJB-HFTRVMKXSA-N | spike glycoprotein |
| -8.7 | 6crv | DB08397 | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID | NKGNOWNPXBURRW-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB02014 | 5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid | QKHWJUMLYAYZFS-ONEGZZNKSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB13182 | Daidzein | ZQSIJRDFPHDXIC-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB06410 | Doxercalciferol | HKXBNHCUPKIYDM-CGMHZMFXSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB13158 | Clobetasone | XXIFVOHLGBURIG-OZCCCYNHSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB13132 | Artemisinin | BLUAFEHZUWYNDE-NNWCWBAJSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB08063 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE | HLZMYWLMBBLASX-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB08073 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | YWTBGJGMTBHQTM-IBGZPJMESA-N | PL pro |
| -8.7 | 6m2n | DB11666 | Buparlisib | CWHUFRVAEUJCEF-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB05076 | Fenretinide | AKJHMTWEGVYYSE-FXILSDISSA-N | 3CL pro |
| -8.7 | 6w9c | DB08092 | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide | VMLSXFMXUNVCSK-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB04630 | Aldosterone | PQSUYGKTWSAVDQ-ZVIOFETBSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB08150 | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium | RZIDZIGAXXNODG-UHFFFAOYSA-O | nucleocapsid protein |
| -8.7 | 6vxx | DB12796 | MRX-I | SULYVXZZUMRQAX-NSHDSACASA-N | spike glycoprotein |
| -8.7 | 6m3m | DB08141 | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide | KOMNQBZWMCFDTQ-VIFPVBQESA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB08133 | N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide | MNHPHKFLWAPNOV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB08159 | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE | AHIJTWCJGCWHMT-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB12725 | TD-8954 | MZOITCJKGUIQEI-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB12720 | Nivocasan | VYFGDLGHHBUDTQ-ZLGUVYLKSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB02694 | Pantoyl Adenylate | GDPVENOGSVMRJL-FSRKKXLISA-N | nucleocapsid protein |
| -8.7 | 6w9q | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 7bv1 | DB11968 | MK-7145 | OCKGFTQIICXDQW-ZEQRLZLVSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | 3CL pro |
| -8.7 | 6lxt | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m2n | DB00769 | Hydrocortamate | FWFVLWGEFDIZMJ-FOMYWIRZSA-N | 3CL pro |
| -8.7 | 6m3m | DB15149 | Futibatinib | KEIPNCCJPRMIAX-HNNXBMFYSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB08705 | 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE | SVSYJTYGPLVUOZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB12005 | Nirogacestat | VFCRKLWBYMDAED-REWPJTCUSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB00203 | Sildenafil | BNRNXUUZRGQAQC-UHFFFAOYSA-N | PL pro |
| -8.7 | 6lzg | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6crv | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB08590 | 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE | CEAYRKIZESVQSN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB13032 | Enecadin | SZSHJTJCJOWMHM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB00276 | Amsacrine | XCPGHVQEEXUHNC-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w4h | DB08519 | N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | SQQAPOSROFWHIB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 7bv1 | DB01977 | 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine | AECPTICWHONWNW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB04434 | Naphthyridine Inhibitor | YRBHUKMLAGQYHS-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB07795 | Fisetin | XHEFDIBZLJXQHF-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w4h | DB08494 | S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate | AWAKIULNKVOBKE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m2n | DB07216 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE | ZMGCFGGMTCMSDP-QHCPKHFHSA-N | 3CL pro |
| -8.7 | 6crv | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB00328 | Indometacin | CGIGDMFJXJATDK-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB00253 | Medrysone | GZENKSODFLBBHQ-ILSZZQPISA-N | PL pro |
| -8.7 | 6w4h | DB08460 | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile | KXDIHAQCVNNLIB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lxt | DB07770 | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID | DJPFUQBNQLKCAB-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w4h | DB08750 | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE | SFPCNWQWKOUNRT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6crv | DB06148 | Mianserin | UEQUQVLFIPOEMF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB12867 | Benperidol | FEBOTPHFXYHVPL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB06159 | Rubitecan | VHXNKPBCCMUMSW-FQEVSTJZSA-N | spike glycoprotein |
| -8.7 | 6crv | DB06160 | Garenoxacin | NJDRXTDGYFKORP-LLVKDONJSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6crv | DB06188 | Ispinesib | QJZRFPJCWMNVAV-HHHXNRCGSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB00246 | Ziprasidone | MVWVFYHBGMAFLY-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w4h | DB15269 | ALK-4290 | DWKNOLCXIFYNFV-HSZRJFAPSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 7bv1 | DB06847 | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | YYCPXVRHQUEVAW-CQSZACIVSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB07741 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE | VPNYXOTTXAXSIH-SXYSDOLCSA-N | 3CL pro |
| -8.7 | 6m2n | DB07761 | (2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol | ZVSBKYYVBCKDBO-OAHLLOKOSA-N | 3CL pro |
| -8.7 | 6m3m | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB08882 | Linagliptin | LTXREWYXXSTFRX-QGZVFWFLSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB15358 | JNJ-54175446 | CWFVVQFVGMFTBD-SECBINFHSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB15407 | Acalisib | DOCINCLJNAXZQF-LBPRGKRZSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6crv | DB06235 | Vadimezan | XGOYIMQSIKSOBS-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w4h | DB09003 | Clocapramine | QAZKXHSIKKNOHH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB08459 | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | SVMHTBVIPYVDIL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB11952 | Duvelisib | SJVQHLPISAIATJ-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB07848 | 5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide | BHNMMFGOJRIAEZ-LRDDRELGSA-N | nsp16 - nsp10 |
| -8.7 | 6w9c | DB00862 | Vardenafil | SECKRCOLJRRGGV-UHFFFAOYSA-N | PL pro |
| -8.7 | 7bv1 | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB07147 | methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | HJWMYFBKJRVWJY-YKSBVNFPSA-N | 3CL pro |
| -8.7 | 6m2n | DB07146 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE | QUIQCYFSBGOBKE-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lxt | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | S2 unit |
| -8.7 | 7bv1 | DB06625 | Vipadenant | HQSBCDPYXDGTCL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB06623 | Flupirtine | JUUFBMODXQKSTD-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB13407 | Nifenazone | BRZANEXCSZCZCI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB00844 | Nalbuphine | NETZHAKZCGBWSS-CEDHKZHLSA-N | PL pro |
| -8.7 | 6crv | DB06625 | Vipadenant | HQSBCDPYXDGTCL-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB07700 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | YVAJWBACBRSVPR-NDUHRLLKSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB07689 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | NYNAFINLHQEHKU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w9c | DB01016 | Glyburide | ZNNLBTZKUZBEKO-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w4h | DB07630 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-IAGOWNOFSA-N | nsp16 - nsp10 |
| -8.7 | 6m2n | DB07127 | {4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID | SXDBFKLPNPUPRI-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB11836 | Sapanisertib | GYLDXIAOMVERTK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB07124 | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | CCIACUJJBPSOHE-KRWDZBQOSA-N | 3CL pro |
| -8.7 | 6m2n | DB07965 | 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile | OGODDSLNRULSMM-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w4h | DB07729 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | GAKOBKPDJJGRIL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m2n | DB07210 | 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | JECHSYMSTXETFI-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w4h | DB07966 | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | NVMCVWOODOWOLT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w9c | DB00482 | Celecoxib | RZEKVGVHFLEQIL-UHFFFAOYSA-N | PL pro |
| -8.7 | 7bv1 | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w4h | DB08305 | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | KQAGZLQCEURCKJ-QGZVFWFLSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | nsp16 - nsp10 |
| -8.7 | 6w9c | DB00547 | Desoximetasone | VWVSBHGCDBMOOT-IIEHVVJPSA-N | PL pro |
| -8.7 | 6m3m | DB04092 | Apstatin | YVUUZAPYLPWFHE-HXFGRODQSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB01336 | Metocurine | JFXBEKISTKFVAB-AJQTZOPKSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB07187 | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE | FXFPQPNUMWQRAO-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lxt | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | S2 unit |
| -8.7 | 6lxt | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m2n | DB07830 | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE | DIRIFWIKLRTNMB-DYVFJYSZSA-N | 3CL pro |
| -8.7 | 6w4h | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB09050 | Ceftolozane | JHFNIHVVXRKLEF-DCZLAGFPSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w9c | DB00713 | Oxacillin | UWYHMGVUTGAWSP-JKIFEVAISA-N | PL pro |
| -8.7 | 6m2n | DB07844 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE | PHLKBODTBJLXRD-WFASDCNBSA-N | 3CL pro |
| -8.7 | 6m3m | DB11900 | OC-459 | FATGTHLOZSXOBC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB00717 | Norethisterone | VIKNJXKGJWUCNN-XGXHKTLJSA-N | PL pro |
| -8.7 | 6m3m | DB13266 | Cefatrizine | UOCJDOLVGGIYIQ-PBFPGSCMSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB00611 | Butorphanol | IFKLAQQSCNILHL-PWRODBHTSA-N | PL pro |
| -8.7 | 6w9c | DB01108 | Trilostane | KVJXBPDAXMEYOA-CXANFOAXSA-N | PL pro |
| -8.7 | 6crv | DB06040 | Filanesib | LLXISKGBWFTGEI-FQEVSTJZSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | S2 unit |
| -8.7 | 6crv | DB04796 | Inecalcitol | HHGRMHMXKPQNGF-WNSNRMDMSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB12505 | E-7820 | LWGUASZLXHYWIV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB12494 | SGI-1776 | MHXGEROHKGDZGO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6crv | DB04794 | Bifonazole | OCAPBUJLXMYKEJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lzg | DB11816 | Omecamtiv Mecarbil | RFUBTTPMWSKEIW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6lzg | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w4h | DB13422 | Nicofuranose | FUWFSXZKBMCSKF-ZASNTINBSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB11804 | AZD-5672 | SCXSQUUTGCWHFU-WJOKGBTCSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w4h | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB12225 | Beclabuvir | ZTTKEBYSXUCBSE-QDFUAKMASA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w4h | DB12419 | HSD-016 | ZWASRJHIEFYJGL-BFUOFWGJSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB13689 | Tacalcitol | BJYLYJCXYAMOFT-RSFVBTMBSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB12229 | Cerlapirdine | NXQGEDVQXVTCDA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | S2 unit |
| -8.7 | 6m3m | DB03909 | Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate | UFZTZBNSLXELAL-IOSLPCCCSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB04725 | Licofelone | UAWXGRJVZSAUSZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB05265 | Ecabet | IWCWQNVIUXZOMJ-MISYRCLQSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB12230 | Bunazosin | RHLJLALHBZGAFM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB12203 | Tozadenant | XNBRWUQWSKXMPW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | nsp16 - nsp10 |
| -8.7 | 7bv1 | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB00396 | Progesterone | RJKFOVLPORLFTN-LEKSSAKUSA-N | 3CL pro |
| -8.7 | 6w4h | DB12903 | DEBIO-1347 | BEMNJULZEQTDJY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB12367 | Selurampanel | MCECSFFXUPEPDB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB12306 | Cipargamin | CKLPLPZSUQEDRT-WPCRTTGESA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB12740 | CC-115 | GMYLVKUGJMYTFB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m3m | DB12393 | Fanapanel | WZMQMKNCWDCCMT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB12401 | Bromperidol | RKLNONIVDFXQRX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB12598 | Nafamostat | MQQNFDZXWVTQEH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m3m | DB12405 | Triciribine | HOGVTUZUJGHKPL-HTVVRFAVSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB12121 | Entospletinib | XSMSNFMDVXXHGJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m3m | DB12416 | VTP-27999 | NXWASIVXQMMPLM-ZXMXYHOLSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB13215 | Sulfobromophthalein | OHTXTCNTQJFRIG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB12134 | Gepotidacin | PZFAZQUREQIODZ-LJQANCHMSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w4h | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB11273 | Dihydroergocornine | SEALOBQTUQIVGU-QNIJNHAOSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB07550 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | ZIGSBBKEPNQXRG-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6crv | DB05408 | Emricasan | SCVHJVCATBPIHN-SJCJKPOMSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB07664 | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | ARIOBGGRZJITQX-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB07665 | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | STHCHQXQLDMISY-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w4h | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB11795 | GSK-2636771 | XTKLTGBKIDQGQL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lxt | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | S2 unit |
| -8.7 | 6w4h | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB12084 | ADP-597 | WPDCHTSXOPUOII-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB04600 | 4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE | GHDKYBCUDPSXGJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w4h | DB11656 | Rebamipide | ALLWOAVDORUJLA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB12787 | Norethandrolone | ZDHCJEIGTNNEMY-XGXHKTLJSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB07450 | (R)-minalrestat | BMHZAHGTGIZZCT-LJQANCHMSA-N | S2 unit |
| -8.7 | 6w4h | DB15145 | Ziresovir | GAAICKUTDBZCMT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 7bv1 | DB13074 | Macimorelin | UJVDJAPJQWZRFR-DHIUTWEWSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w4h | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6crv | DB05830 | Trestolone | YSGQGNQWBLYHPE-CFUSNLFHSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | nsp16 - nsp10 |
| -8.7 | 6m2n | DB07274 | N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide | ZATGFXTWDKIEKC-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lxt | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | S2 unit |
| -8.7 | 6lzg | DB12385 | 10-hydroxycamptothecin | HAWSQZCWOQZXHI-FQEVSTJZSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB00278 | Argatroban | KXNPVXPOPUZYGB-IOVMHBDKSA-N | 3CL pro |
| -8.7 | 6m3m | DB12591 | BMS-911543 | JCINBYQJBYJGDM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w4h | DB12052 | Icariin | TZJALUIVHRYQQB-XLRXWWTNSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB14152 | Ginsenosides | NLHQJXWYMZLQJY-SWIZOJJJSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB12657 | JNJ-42396302 | BPLVDYJDAVYLRQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB14569 | Tedizolid | XFALPSLJIHVRKE-GFCCVEGCSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB12670 | Rolofylline | PJBFVWGQFLYWCB-QUYAXPHCSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB14717 | Nitrazolam | OYRPNABWTHDOFK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6crv | DB05586 | Facinicline | TXCYUSKWBHUVEP-CYBMUJFWSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB00438 | Ceftazidime | ORFOPKXBNMVMKC-DWVKKRMSSA-N | 3CL pro |
| -8.7 | 6w4h | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | nsp16 - nsp10 |
| -8.7 | 6crv | DB04644 | 4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID | FCEMCUPAYRPTLS-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6wiq | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | nsp7-nsp8 |
| -8.7 | 6lzg | DB12580 | Tradipitant | CAVRKWRKTNINFF-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6lxt | DB07458 | 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-KRWDZBQOSA-N | S2 unit |
| -8.7 | 6crv | DB05575 | Motesanib | RAHBGWKEPAQNFF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB01134 | Desoxycorticosterone pivalate | VVOIQBFMTVCINR-WWMZEODYSA-N | PL pro |
| -8.7 | 6m2n | DB00591 | Fluocinolone acetonide | FEBLZLNTKCEFIT-VSXGLTOVSA-N | 3CL pro |
| -8.7 | 7bv1 | DB06944 | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide | RIGZCVNCFXYBEG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB03480 | Brequinar Analog | WYKKHJQZENLZID-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB09239 | Niguldipine | SVJMLYUFVDMUHP-XIFFEERXSA-N | nucleocapsid protein |
| -8.7 | 6lzg | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w9c | DB03523 | Brequinar | PHEZJEYUWHETKO-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m2n | DB06747 | ginkgolide-M | KDKROYXEHCYLJQ-FJFAJXJPSA-N | 3CL pro |
| -8.7 | 6m2n | DB06746 | ginkgolide-J | LMEHVEUFNRJAAV-UKWFQYJJSA-N | 3CL pro |
| -8.7 | 6wiq | DB01199 | Tubocurarine | JFJZZMVDLULRGK-URLMMPGGSA-O | nsp7-nsp8 |
| -8.7 | 6crv | DB07147 | methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | HJWMYFBKJRVWJY-YKSBVNFPSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB09206 | Trimazosin | YNZXWQJZEDLQEG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB03476 | Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine | NQRIWXVAIWPBEM-OALUTQOASA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB15345 | GSK-945237 | SRICOHRDRMZREQ-MRXNPFEDSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB08395 | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE | ZSOXFJURLPCSOO-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB08400 | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | KUEKMTNOUPAOBS-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB14765 | Rivoceranib | WPEWQEMJFLWMLV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6lzg | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB06733 | Bafilomycin A1 | XDHNQDDQEHDUTM-JQWOJBOSSA-N | 3CL pro |
| -8.7 | 6m2n | DB08423 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | QKZZJXRGCHXIAI-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6crv | DB03480 | Brequinar Analog | WYKKHJQZENLZID-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB03435 | Uridine-5'-Diphosphate | XCCTYIAWTASOJW-XVFCMESISA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lxt | DB08003 | ISOTHIAZOLIDINONE ANALOG | UILYPHAKDBTKQV-UFYCRDLUSA-N | S2 unit |
| -8.7 | 6w9c | DB03476 | Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine | NQRIWXVAIWPBEM-OALUTQOASA-N | PL pro |
| -8.7 | 6w9c | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | PL pro |
| -8.7 | 7bv1 | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB15327 | Abivertinib | UOFYSRZSLXWIQB-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6lxt | DB07945 | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid | GKBQRPKZHUFGOB-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6lxt | DB15310 | Vactosertib | FJCDSQATIJKQKA-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m2n | DB06848 | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine | VCUDZTCDUDDJGG-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lzg | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB00699 | Nicergoline | YSEXMKHXIOCEJA-FVFQAYNVSA-N | 3CL pro |
| -8.7 | 6w9c | DB03041 | UDP-alpha-D-glucuronic acid | HDYANYHVCAPMJV-LXQIFKJMSA-N | PL pro |
| -8.7 | 7bv1 | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lzg | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w9c | DB03213 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone | VVVXDHROXQUONB-UHFFFAOYSA-P | PL pro |
| -8.7 | 6m2n | DB08309 | 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL | AMFGILNPFBVREA-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB03262 | Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | PZLYYZPXSSNGJS-UHFFFAOYSA-N | PL pro |
| -8.7 | 6lxt | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | S2 unit |
| -8.7 | 7bv1 | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lzg | DB15110 | Onvansertib | QHLVBNKYJGBCQJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB08341 | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide | CAUFYHKGKDJMQG-HZPDHXFCSA-N | 3CL pro |
| -8.7 | 6w9c | DB03446 | N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide | FSMWGHKWKYCPKE-QTVCLEQKSA-N | PL pro |
| -8.7 | 6lzg | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m3m | DB03478 | 2'-O-Acetyl Adenosine-5-Diphosphoribose | BFNOPXRXIQJDHO-DLFWLGJNSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB03916 | 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine | RHOOHUMOHVIXEF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m2n | DB06874 | (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL | LSIZSSASMKSUIU-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB04298 | 3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One | ZEBFKFGJWHOOST-LJAQVGFWSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB06985 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid | MEAQCLPMSVEOQF-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6lxt | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w4h | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | nsp16 - nsp10 |
| -8.7 | 6w9c | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | PL pro |
| -8.7 | 6lzg | DB08073 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | YWTBGJGMTBHQTM-IBGZPJMESA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w4h | DB01067 | Glipizide | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB15062 | Inarigivir | LYMICVBGNUEHGE-FUQPUAIBSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB06616 | Bosutinib | UBPYILGKFZZVDX-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w4h | DB00948 | Mezlocillin | YPBATNHYBCGSSN-VWPFQQQWSA-N | nsp16 - nsp10 |
| -8.7 | 6m2n | DB08534 | 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | ZAIYYXVHGBMLEC-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB08510 | 5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE | UVTGFMKBPVLATL-DSOJQRAMSA-N | 3CL pro |
| -8.7 | 6lxt | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | S2 unit |
| -8.7 | 6w9c | DB04301 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate | ZLAHDRAQCSQPOC-UHFFFAOYSA-P | PL pro |
| -8.7 | 6m3m | DB15109 | Ingenol disoxate | GLIUZQUNUNICGS-XUBYYPQFSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | nsp16 - nsp10 |
| -8.7 | 6crv | DB07373 | ANDROSTA-1,4-DIENE-3,17-DIONE | LUJVUUWNAPIQQI-QAGGRKNESA-N | spike glycoprotein |
| -8.7 | 6w4h | DB00705 | Delavirdine | WHBIGIKBNXZKFE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lzg | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6crv | DB07401 | METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE | WFDXOXNFNRHQEC-GHRIWEEISA-N | spike glycoprotein |
| -8.7 | 6m3m | DB03361 | 2-{(9as)-9a-[(1s)-1-Hydroxyethyl]-2,7-Dimethyl-9a,10-Dihydro-5h-Pyrimido[4,5-D][1,3]Thiazolo[3,2-a]Pyrimidin-8-Yl}Ethyl Trihydrogen Diphosphate | UQFVHIGKDHNMJT-XPTSAGLGSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB07415 | 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine | RFLOFHKRBGKCOB-AWEZNQCLSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB08538 | N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | HQPVGVSQPQVZLD-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 7bv1 | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB09080 | Olodaterol | COUYJEVMBVSIHV-SFHVURJKSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB01261 | Sitagliptin | MFFMDFFZMYYVKS-SECBINFHSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB09183 | Dasabuvir | NBRBXGKOEOGLOI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB07227 | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | JNUGFGAVPBYSHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB02358 | LY374571 | SZHRIPFGZWWRKW-VIFPVBQESA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB14867 | Parsaclisib | ZQPDJCIXJHUERQ-QWRGUYRKSA-N | nucleocapsid protein |
| -8.7 | 6lzg | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 7bv1 | DB07267 | 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine | JONFDFIXMPXTRH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB03837 | Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide | YUMYYTORLYHUFW-ZUDLOMHPSA-N | PL pro |
| -8.7 | 6crv | DB07250 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE | HMKLUOPMOJOUDZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB09168 | 4-Phenylfentanyl | BXCJXJLHYMWMQU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB06635 | Otamixaban | PFGVNLZDWRZPJW-OPAMFIHVSA-N | 3CL pro |
| -8.7 | 6m2n | DB06680 | Asoprisnil | GJMNAFGEUJBOCE-MEQIQULJSA-N | 3CL pro |
| -8.7 | 6w4h | DB01774 | Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester | WFPZSXYXPSUOPY-ROYWQJLOSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB01761 | 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine | QICPQLFMWYQJGX-SFHVURJKSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB09101 | Elvitegravir | JUZYLCPPVHEVSV-LJQANCHMSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB08497 | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | NKBDSMREMMRFSI-INIZCTEOSA-N | 3CL pro |
| -8.7 | 6crv | DB07289 | 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID | XEQPGVUGYAUMSA-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB01436 | Alfacalcidol | OFHCOWSQAMBJIW-AVJTYSNKSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB09091 | Tixocortol | YWDBSCORAARPPF-VWUMJDOOSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB06660 | Saredutant | PGKXDIMONUAMFR-AREMUKBSSA-N | 3CL pro |
| -8.7 | 6lxt | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w4h | DB04301 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate | ZLAHDRAQCSQPOC-UHFFFAOYSA-P | nsp16 - nsp10 |
| -8.7 | 7bv1 | DB05465 | Tandutinib | UXXQOJXBIDBUAC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB07059 | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | GBXSOZDYCSBLQX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m2n | DB07045 | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | VBJKVZXRYLCYGQ-XNIJJKJLSA-N | 3CL pro |
| -8.7 | 6crv | DB06853 | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | BYTJPDBCLWUEBU-IBGZPJMESA-N | spike glycoprotein |
| -8.7 | 6m2n | DB08043 | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA | DDDLGNOZDKDSEG-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6crv | DB04010 | 2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide | NVVWVYYHTKCIAE-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB08052 | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | NVRXTLZYXZNATH-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB11725 | Latrepirdine | JNODQFNWMXFMEV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB03970 | (7R)-7-(6,7-Dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid | CHNMLWCTGYMVFH-GFCCVEGCSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB13718 | Hydroquinine | LJOQGZACKSYWCH-WZBLMQSHSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB11701 | Amenamevir | MNHNIVNAFBSLLX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB11689 | Selumetinib | CYOHGALHFOKKQC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB06879 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE | QCFIRACCCDFXIP-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB06856 | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE | HUYQYLFFFNSAAX-BUXKBTBVSA-N | nsp16 - nsp10 |
| -8.7 | 6w9c | DB01705 | Bis(5-Amidino-Benzimidazolyl)Methane | QZKOOEFIMWKZPK-UHFFFAOYSA-Q | PL pro |
| -8.7 | 6m3m | DB13778 | Cefazedone | VTLCNEGVSVJLDN-MLGOLLRUSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB13783 | Acemetacin | FSQKKOOTNAMONP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB01830 | {4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid | SPSGYTWOIGAABK-DQEYMECFSA-N | PL pro |
| -8.7 | 6w4h | DB06744 | ginkgolide-B | SQOJOAFXDQDRGF-MMQTXUMRSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB06721 | Gimatecan | UIVFUQKYVFCEKJ-OPTOVBNMSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB03585 | Oxyphenbutazone | HFHZKZSRXITVMK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6wiq | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.7 | 6crv | DB06833 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE | MMIJMYOYKAKQPN-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB04037 | N,N-Bis(4-Chlorobenzyl)-1h-1,2,3,4-Tetraazol-5-Amine | UOUXILZUBDIWQU-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB01180 | Rescinnamine | SZLZWPPUNLXJEA-LAFLMMDJSA-N | PL pro |
| -8.7 | 6m3m | DB11816 | Omecamtiv Mecarbil | RFUBTTPMWSKEIW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB06710 | Methyltestosterone | GCKMFJBGXUYNAG-HLXURNFRSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB11806 | VTP-194204 | BOOOLEGQBVUTKC-NVQSDHBMSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB07435 | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | GFANZDFKCCJYRF-NSISKUIASA-N | nsp16 - nsp10 |
| -8.7 | 7bv1 | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w4h | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 7bv1 | DB06652 | Vicriviroc | CNPVJJQCETWNEU-CYFREDJKSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB06737 | Zaltoprofen | MUXFZBHBYYYLTH-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lzg | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w9c | DB01260 | Desonide | WBGKWQHBNHJJPZ-LECWWXJVSA-N | PL pro |
| -8.7 | 7bv1 | DB02338 | Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate | ACFIXJIJDZMPPO-NNYOXOHSSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB01338 | Pipecuronium | OWWLUIWOFHMHOQ-XGHATYIMSA-N | PL pro |
| -8.7 | 6w4h | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB07252 | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | TZHCXOMEOHEZDX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m2n | DB07065 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine | AHPKUZJCNHGFQA-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 7bv1 | DB02354 | 4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine | IRKPNOLLMNHSOU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB04040 | N-(2-Morpholin-4-Yl-1-Morpholin-4-Ylmethyl-Ethyl)-3-Nitro-5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yloxy)-Benzamide | MCMWCTMAKPQTPI-WGNYYXNJSA-N | spike glycoprotein |
| -8.7 | 6w4h | DB07159 | Tamatinib | NHHQJBCNYHBUSI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB13651 | Lorajmine | LAHDERDHXJFFJU-ZWNKPRIXSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB07987 | [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | AWAKNMKLVLWIIQ-OAHLLOKOSA-N | 3CL pro |
| -8.7 | 6w9c | DB01876 | Bis(5-Amidino-2-Benzimidazolyl)Methanone | VVVXDHROXQUONB-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m2n | DB06994 | (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine | XCCSSVMRGIQMGF-LPHOPBHVSA-N | 3CL pro |
| -8.7 | 6w9c | DB01944 | (S)-blebbistatin | LZAXPYOBKSJSEX-GOSISDBHSA-N | PL pro |
| -8.7 | 6w9c | DB02455 | Fluoresceinylthioureido | VHJFQSRUDVDTEO-UHFFFAOYSA-N | PL pro |
| -8.7 | 7bv1 | DB00923 | Ceforanide | SLAYUXIURFNXPG-CRAIPNDOSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w4h | DB04946 | Iloperidone | XMXHEBAFVSFQEX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB04908 | Flibanserin | PPRRDFIXUUSXRA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB11426 | Marbofloxacin | BPFYOAJNDMUVBL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB04861 | Nebivolol | KOHIRBRYDXPAMZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 7bv1 | DB07014 | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole | TUTZKAQTSPMEBI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB11911 | Galunisertib | IVRXNBXKWIJUQB-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m3m | DB14055 | (S)-Warfarin | PJVWKTKQMONHTI-HNNXBMFYSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB08159 | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE | AHIJTWCJGCWHMT-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lzg | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m3m | DB03496 | Alvocidib | BIIVYFLTOXDAOV-YVEFUNNKSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB03495 | 4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose | FZLCJZILHGFQLM-PISLJJGOSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB11398 | Diclazuril | ZSZFUDFOPOMEET-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB14086 | Cianidanol | PFTAWBLQPZVEMU-DZGCQCFKSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB11362 | Selexipag | QXWZQTURMXZVHJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB08233 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | RFSDQDHHBKYQOD-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | PL pro |
| -8.7 | 6w4h | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB14069 | ONT-093 | RSJCLODJSVZNQA-BQYQJAHWSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB08153 | (5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE | VZTAZMSAAIUZJV-HWKANZROSA-N | 3CL pro |
| -8.7 | 6crv | DB06983 | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol | RBLKWWBHDUBPFN-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | PL pro |
| -8.7 | 6lxt | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6lxt | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m2n | DB06992 | (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone | SIDDLTBLAQYZIZ-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB01977 | 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine | AECPTICWHONWNW-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB02008 | 1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine | JHSHXKJSPVHPCJ-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB02049 | 2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide | QOPFTBAEAJQKSY-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m2n | DB00670 | Pirenzepine | RMHMFHUVIITRHF-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w4h | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | nsp16 - nsp10 |
| -8.7 | 6w4h | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.7 | 6lxt | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | S2 unit |
| -8.7 | 6m2n | DB06969 | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide | WJUNQSYQHHIVFX-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB02164 | N-Sulfo-Flavin Mononucleotide | ZLPUGFBBLGQWBS-SCRDCRAPSA-N | PL pro |
| -8.7 | 6crv | DB06953 | 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE | JVWHVGIRXILXMU-XMMPIXPASA-N | spike glycoprotein |
| -8.7 | 6m2n | DB08125 | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | BOMPRXSVSIPRDT-PTNGSMBKSA-N | 3CL pro |
| -8.7 | 6m2n | DB08126 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | DMCRNUMVSATRTP-LCYFTJDESA-N | 3CL pro |
| -8.7 | 6crv | DB06954 | 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate | BIASYWBGUYOWJR-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB04200 | Matairesinol | MATGKVZWFZHCLI-LSDHHAIUSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB05511 | Piclidenoson | HUJXGQILHAUCCV-MOROJQBDSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB03509 | 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide | FLYGLPYJEQPCFY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB02259 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide | VSYGXLAJQDAWCZ-UHFFFAOYSA-N | PL pro |
| -8.7 | 6crv | DB07423 | (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | YVXVTLGIDOACBJ-SFHVURJKSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | ACE2 area for S-protein binding |
| -8.7 | 6w9c | DB08043 | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA | DDDLGNOZDKDSEG-UHFFFAOYSA-N | PL pro |
| -8.7 | 7bv1 | DB06144 | Sertindole | GZKLJWGUPQBVJQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB01076 | Atorvastatin | XUKUURHRXDUEBC-KAYWLYCHSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB04609 | INHIBITOR Q8467 OF DUPONT MERCK | HFLCERPZYCWLSZ-VKONIRKNSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB01061 | Azlocillin | JTWOMNBEOCYFNV-NFFDBFGFSA-N | spike glycoprotein |
| -8.7 | 6crv | DB11512 | Dihydrostreptomycin | ASXBYYWOLISCLQ-HZYVHMACSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB13101 | 4SC-202 | PRXXYMVLYKJITB-IZZDOVSWSA-N | PL pro |
| -8.7 | 6w9c | DB15151 | RO-6870810 | PKQXLRYFPSZKDU-QFIPXVFZSA-N | PL pro |
| -8.7 | 6lxt | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m71 | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 7bv1 | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB01852 | Kaempherol | IYRMWMYZSQPJKC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB15183 | Fosmanogepix | JQONJQKKVAHONF-UHFFFAOYSA-N | PL pro |
| -8.7 | 6crv | DB11522 | Isoflupredone | WAIJIHDWAKJCBX-BULBTXNYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB15205 | Capromorelin | KVLLHLWBPNCVNR-SKCUWOTOSA-N | PL pro |
| -8.7 | 6crv | DB11551 | Trenbolone | MEHHPFQKXOUFFV-OWSLCNJRSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB01838 | 6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone | GKDYOXMZSXVKPP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB06159 | Rubitecan | VHXNKPBCCMUMSW-FQEVSTJZSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB15212 | Pemafibrate | ZHKNLJLMDFQVHJ-RUZDIDTESA-N | PL pro |
| -8.7 | 6crv | DB11464 | Sulfaquinoxaline | NHZLNPMOSADWGC-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB01873 | Epothilone D | XOZIUKBZLSUILX-GIQCAXHBSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB04886 | Calanolide A | NIDRYBLTWYFCFV-FMTVUPSXSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB11455 | Robenacoxib | ZEXGDYFACFXQPF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01039 | Fenofibrate | YMTINGFKWWXKFG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB01623 | Thiothixene | GFBKORZTTCHDGY-UWVJOHFNSA-N | spike glycoprotein |
| -8.7 | 6crv | DB11366 | Roquinimex | SGOOQMRIPALTEL-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB01568 | Codeine-N-oxide | BDLSDHWCOJPHIE-KFUGMXNISA-N | spike glycoprotein |
| -8.7 | 6w9c | DB11978 | Glasdegib | SFNSLLSYNZWZQG-VQIMIIECSA-N | PL pro |
| -8.7 | 6vxx | DB01554 | Bolandiol | CMXKUJNZWYTFJN-XFUVECHXSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB07090 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE | NJNMAZNXKKBTPS-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB02196 | Uridine-Diphosphate-N-Acetylgalactosamine | LFTYTUAZOPRMMI-NESSUJCYSA-N | S2 unit |
| -8.7 | 6vxx | DB00728 | Rocuronium | YXRDKMPIGHSVRX-OOJCLDBCSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB12375 | Oglemilast | OKFDRAHPFKMAJH-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | PL pro |
| -8.7 | 6crv | DB01013 | Clobetasol propionate | CBGUOGMQLZIXBE-XGQKBEPLSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB12015 | Alpelisib | STUWGJZDJHPWGZ-LBPRGKRZSA-N | PL pro |
| -8.7 | 7bv1 | DB14790 | BPN-14770 | KRRGWHSEDYQKDQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB12505 | E-7820 | LWGUASZLXHYWIV-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m2n | DB12399 | Polmacoxib | IJWPAFMIFNSIGD-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB07059 | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | GBXSOZDYCSBLQX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | PL pro |
| -8.7 | 6m3m | DB04883 | Darusentan | FEJVSJIALLTFRP-LJQANCHMSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | 3CL pro |
| -8.7 | 6m2n | DB03173 | CRA_10433 | CFSQPEBVGUSQII-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lxt | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m71 | DB11618 | Zorubicin | FBTUMDXHSRTGRV-BJISBDEGSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB15268 | Afabicin | HFYMDQMXVPJNTH-VQHVLOKHSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB06907 | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID | XVNRKPCHMYOPPL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB11645 | PF-4191834 | DVNQWYLVSNPCJZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB15229 | CNV-2197944 | BLFJGFDZMABYMY-ZDUSSCGKSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | nsp9 RNA-replicase |
| -8.7 | 6vxx | DB15209 | MK-0736 | ORQZQBUNAMJFCY-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB11718 | Encorafenib | CMJCXYNUCSMDBY-ZDUSSCGKSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB11725 | Latrepirdine | JNODQFNWMXFMEV-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB15186 | GDC-0084 | LGWACEZVCMBSKW-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB05015 | Belinostat | NCNRHFGMJRPRSK-MDZDMXLPSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB05039 | Indacaterol | QZZUEBNBZAPZLX-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB15151 | RO-6870810 | PKQXLRYFPSZKDU-QFIPXVFZSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB02882 | Cyanocinnoline | CUWRVIIPSSUUDJ-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m71 | DB11616 | Pirarubicin | KMSKQZKKOZQFFG-YXRRJAAWSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB12505 | E-7820 | LWGUASZLXHYWIV-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m71 | DB11577 | Indigotindisulfonic Acid | CFZXDJWFRVEWSR-BUHFOSPRSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB00948 | Mezlocillin | YPBATNHYBCGSSN-VWPFQQQWSA-N | spike glycoprotein |
| -8.7 | 6crv | DB00946 | Phenprocoumon | DQDAYGNAKTZFIW-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB03157 | N,O-Didansyl-L-Tyrosine | LUBOPDUYHWABFG-NDEPHWFRSA-N | 3CL pro |
| -8.7 | 6crv | DB11650 | HT-0712 | ABEJDMOBAFLQNJ-NHCUHLMSSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6w9q | DB13991 | Pipequaline | AMEWZCMTSIONOX-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 7bv1 | DB12260 | Radiprodil | GKGRZLGAQZPEHO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB00559 | Bosentan | GJPICJJJRGTNOD-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m2n | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | 3CL pro |
| -8.7 | 6crv | DB00897 | Triazolam | JOFWLTCLBGQGBO-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB06940 | N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | ZZTMFGIGOADCFX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB06933 | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | GJTCKUKIFXWJKG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB11424 | Lufenuron | PWPJGUXAGUPAHP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB00295 | Morphine | BQJCRHHNABKAKU-KBQPJGBKSA-N | spike glycoprotein |
| -8.7 | 6lzg | DB02616 | FR117016 | CKJGKHXCUDWFDC-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m71 | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6cs2 | DB04859 | Zanapezil | PMBLXLOXUGVTGB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB06955 | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | OAMCCJASDLMTOO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB01661 | 1-(5-phospho-D-ribosyl)-ATP | RKNHJBVBFHDXGR-MRUDJCSFSA-N | spike glycoprotein |
| -8.7 | 6wiq | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.7 | 6w9c | DB06837 | (2R)-N-4-hydroxy-2-(3-hydroxybenzyl)-N-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide | VXDKQRWTOJFQKH-BJZITVGISA-N | PL pro |
| -8.7 | 6cs2 | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB03916 | 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine | RHOOHUMOHVIXEF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01192 | Oxymorphone | UQCNKQCJZOAFTQ-ISWURRPUSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB14542 | Hydrocortisone phosphate | BGSOJVFOEQLVMH-VWUMJDOOSA-N | PL pro |
| -8.7 | 6w9c | DB14570 | Hydroxyprogesterone | DBPWSSGDRRHUNT-CEGNMAFCSA-N | PL pro |
| -8.7 | 6w9c | DB14624 | Nandrolone hydrogen sulfate | SKZMVWBZTQNCKW-IZPLOLCNSA-N | PL pro |
| -8.7 | 6w9c | DB14627 | Oxyphenisatin acetate | PHPUXYRXPHEJDF-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB03532 | Phosphomethylphosphonic Acid Guanylate Ester | GXTIEXDFEKYVGY-KQYNXXCUSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB14631 | Prednisolone phosphate | JDOZJEUDSLGTLU-VWUMJDOOSA-N | PL pro |
| -8.7 | 6crv | DB09178 | Phenaridine | ODPKHHGQKIYCTJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB14640 | Isoflupredone acetate | ZOCUOMKMBMEYQV-GSLJADNHSA-N | PL pro |
| -8.7 | 6w9c | DB14673 | Flurandrenolide acetate | AUDPKCCPWYXNEV-XTLNBZDDSA-N | PL pro |
| -8.7 | 6lxt | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | S2 unit |
| -8.7 | 6vxx | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB03447 | Uridylyl-2'-5'-Phospho-Adenosine | QARCCHXXGAIRFS-KPKSGTNCSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB14716 | Clonazolam | XJRGLCAWBRZUFC-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB03420 | 2,4-Deoxy-4-Guanidino-5-N-Acetyl-Neuraminic Acid | DAAUVSVERFXBSX-IHICSVBISA-N | spike glycoprotein |
| -8.7 | 6lxt | DB02804 | A-98881 | PMBZSBGCSQGJAQ-GRKNLSHJSA-N | S2 unit |
| -8.7 | 6w9c | DB14097 | 13-cis-12-(3'-Carboxyphenyl)retinoic acid | XKKDQOHDTASHCE-PAZAWXFKSA-N | PL pro |
| -8.7 | 6w9c | DB14038 | beta-Sitosterol | KZJWDPNRJALLNS-VJSFXXLFSA-N | PL pro |
| -8.7 | 6crv | DB01215 | Estazolam | CDCHDCWJMGXXRH-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6crv | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | spike glycoprotein |
| -8.7 | 6m3m | DB07324 | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE | ZUJWSOPIDUWELP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB03916 | 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine | RHOOHUMOHVIXEF-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6w9c | DB13816 | Aspoxicillin | BHELIUBJHYAEDK-OAIUPTLZSA-N | PL pro |
| -8.7 | 6m2n | DB12211 | PSI-697 | DIEPFYNZGUUVHD-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6lxt | DB08907 | Canagliflozin | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N | S2 unit |
| -8.7 | 6m2n | DB12219 | GSK-424887 | DRXBWLBZWAJIEF-IBGZPJMESA-N | 3CL pro |
| -8.7 | 6m71 | DB08043 | 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA | DDDLGNOZDKDSEG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB07316 | N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide | FAVXIEFZKPJZRT-NRFANRHFSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB03005 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium | ISUOMOOYAOQQPZ-UHFFFAOYSA-O | S2 unit |
| -8.7 | 6vxx | DB04232 | N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide | DNGGPLKVDUPXFN-GOSISDBHSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB07315 | 5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide | SHCHFGSUYJUEBR-INIZCTEOSA-N | nucleocapsid protein |
| -8.7 | 6lxt | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB13939 | RAD-140 | XMBUPPIEVAFYHO-KPZWWZAWSA-N | PL pro |
| -8.7 | 6w9c | DB13943 | Testosterone cypionate | HPFVBGJFAYZEBE-ZLQWOROUSA-N | PL pro |
| -8.7 | 6w9c | DB13993 | MRK-409 | GOIFCXRIFSYPFG-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB14034 | Darglitazone | QQKNSPHAFATFNQ-UHFFFAOYSA-N | PL pro |
| -8.7 | 6lxt | DB03020 | 5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide | UINNILASBHZOTM-KMXXXSRASA-N | S2 unit |
| -8.7 | 6m2n | DB01261 | Sitagliptin | MFFMDFFZMYYVKS-SECBINFHSA-N | 3CL pro |
| -8.7 | 7bv1 | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB02621 | Latrunculin A | DDVBPZROPPMBLW-IZGXTMSKSA-N | S2 unit |
| -8.7 | 6m71 | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB02519 | Indirubin-5-Sulphonate | IHBOEHLUIBMBMY-YPKPFQOOSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | PL pro |
| -8.7 | 7bv1 | DB14679 | Quingestanol acetate | FLGJKPPXEKYCBY-AKCFYGDASA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB01094 | Hesperetin | AIONOLUJZLIMTK-AWEZNQCLSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB02360 | Bis-Napthyl Beta-Ketophosphonic Acid | OFHMUASCSJJNNA-JOCHJYFZSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB02789 | Pregnenolone | ORNBQBCIOKFOEO-QGVNFLHTSA-N | PL pro |
| -8.7 | 6w9c | DB15346 | GLPG-1205 | IRBAWVGZNJIROV-SFHVURJKSA-N | PL pro |
| -8.7 | 6w9c | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | PL pro |
| -8.7 | 6m3m | DB07143 | D-phenylalanyl-N-benzyl-L-prolinamide | MEPJWLFTTFHOQO-MOPGFXCFSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB02049 | 2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide | QOPFTBAEAJQKSY-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB14568 | Ivosidenib | WIJZXSAJMHAVGX-DHLKQENFSA-N | S2 unit |
| -8.7 | 6lzg | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m2n | DB12309 | GI-181771X | CABBMMXFOOZVMS-PMERELPUSA-N | 3CL pro |
| -8.7 | 6crv | DB09488 | Acrivastine | PWACSDKDOHSSQD-IUTFFREVSA-N | spike glycoprotein |
| -8.7 | 6lu7 | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | Replicase polyprotein 1ab |
| -8.7 | 6vxx | DB01945 | 4-Carbamoyl-1-Beta-D-Ribofuranosyl-Imidazolium-5-Olate-5'-Phosphate | KTKAFSMJDTUUAN-UUOKFMHZSA-L | spike glycoprotein |
| -8.7 | 6m71 | DB08407 | PLATENSIMYCIN | CSOMAHTTWTVBFL-OFBLZTNGSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB06891 | 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE | HOLJYLOVIHBQHO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB09268 | Picosulfuric acid | UJIDKYTZIQTXPM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB11701 | Amenamevir | MNHNIVNAFBSLLX-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m3m | DB07235 | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE | HHOVRZGUSBMKKU-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB14801 | Lanifibranor | OQDQIFQRNZIEEJ-UHFFFAOYSA-N | PL pro |
| -8.7 | 7bv1 | DB04875 | Pralnacasan | CXAGHAZMQSCAKJ-WAHHBDPQSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB14885 | PF-05180999 | CLGCHUKGBICQTE-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB14898 | Retagliptin | WIIAMRXFUJLYEF-SNVBAGLBSA-N | PL pro |
| -8.7 | 6vxx | DB02976 | Uridine-5'-monophosphate 2-deoxy-2-fluoro-galactopyranosyl-monophosphate ester | NGTCPFGWXMBZEP-KBQKSTHMSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m3m | DB07182 | (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID | HFRHWTYCVGKGIE-KRWDZBQOSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB01140 | Cefadroxil | BOEGTKLJZSQCCD-UEKVPHQBSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB02917 | N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide | LFGYSFPVLMPUPE-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB15057 | NUC-1031 | NHTKGYOMICWFQZ-KKQYNPQSSA-N | PL pro |
| -8.7 | 6lxt | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB15109 | Ingenol disoxate | GLIUZQUNUNICGS-XUBYYPQFSA-N | PL pro |
| -8.7 | 6crv | DB09230 | Azelnidipine | ZKFQEACEUNWPMT-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01116 | Trimethaphan | CHQOEHPMXSHGCL-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB02834 | IDD552 | ZCAGEXZTORJQDZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB02799 | N-[2-(1-Maleimidyl)Ethyl]-7-Diethylaminocoumarin-3-Carboxamide | OJBZDUMTXGGVSP-KTKRTIGZSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB07217 | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | YVYPYORTKAIUGJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB15126 | IMG-7289 | KQKBMHGOHXOHTD-KKUQBAQOSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6vxx | DB15120 | GSK-239512 | YFRBKEVUUCQYOW-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB12798 | Relenopride | KGMMSPVVHZGPHL-NRFANRHFSA-N | 3CL pro |
| -8.7 | 6vxx | DB11263 | Polydatin | HSTZMXCBWJGKHG-CUYWLFDKSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB08006 | N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | OXYDLVAOXASTMW-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6cs2 | DB06969 | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide | WJUNQSYQHHIVFX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB12833 | Tandospirone | CEIJFEGBUDEYSX-FZDBZEDMSA-N | 3CL pro |
| -8.7 | 1r42 | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | ACE2 area with important AAs |
| -8.7 | 6crv | DB11985 | Dapaconazole | FUAHXHWSMYFWGE-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB07015 | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine | XDSKICAQKGYYJF-OLZOCXBDSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB06176 | Romidepsin | OHRURASPPZQGQM-GCCNXGTGSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB11994 | Diacerein | TYNLGDBUJLVSMA-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB01990 | Cholesterol sulfate | BHYOQNUELFTYRT-DPAQBDIFSA-N | 3CL pro |
| -8.7 | 6vxx | DB08931 | Riociguat | WXXSNCNJFUAIDG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB08927 | Amperozide | NNAIYOXJNVGUOM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB08915 | Aleglitazar | DAYKLWSKQJBGCS-NRFANRHFSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB02573 | 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate | LYWWDKIADIGKTH-IDMWBNCISA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6cs2 | DB07058 | 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione | QBVJMUOTMRYUKR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6lxt | DB01147 | Cloxacillin | LQOLIRLGBULYKD-JKIFEVAISA-N | S2 unit |
| -8.7 | 6crv | DB00177 | Valsartan | ACWBQPMHZXGDFX-QFIPXVFZSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6crv | DB11961 | AZD-1236 | SFJFBTPHDHUUPU-OAHLLOKOSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB01568 | Codeine-N-oxide | BDLSDHWCOJPHIE-KFUGMXNISA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB06370 | Indisulam | SETFNECMODOHTO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB11978 | Glasdegib | SFNSLLSYNZWZQG-VQIMIIECSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB07570 | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | ZKEZEXYKYHYIMQ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6vxx | DB11962 | GSK-1059615 | QDITZBLZQQZVEE-YBEGLDIGSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB12234 | BMS-214662 | OLCWFLWEHWLBTO-HSZRJFAPSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB06345 | AR-9281 | HUDQLWBKJOMXSZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB11912 | Lanopepden | SWHNZGMQMGFQGW-MSOLQXFVSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB12269 | PF-06273340 | BPIWZDNVMQQBQX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB01548 | Diprenorphine | OIJXLIIMXHRJJH-KNLIIKEYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB00247 | Methysergide | KPJZHOPZRAFDTN-NQUBZZJWSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB05116 | Thymectacin | CFBLUORPOFELCE-BACVZHSASA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB11833 | Basimglurant | UPZWINBEAHDTLA-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6vxx | DB11457 | Rotenone | JUVIOZPCNVVQFO-HBGVWJBISA-N | spike glycoprotein |
| -8.7 | 6m3m | DB06249 | Arzoxifene | MCGDSOGUHLTADD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB11442 | Oleandomycin | RZPAKFUAFGMUPI-QESOVKLGSA-N | spike glycoprotein |
| -8.7 | 6crv | DB11957 | Idalopirdine | YBAWYTYNMZWMMJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB06280 | Senicapoc | SCTZUZTYRMOMKT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9q | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6vxx | DB08795 | Azidocillin | ODFHGIPNGIAMDK-NJBDSQKTSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB07107 | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | SGHXFHRRWFLILP-XJDXJNMNSA-N | ACE2 area for S-protein binding |
| -8.7 | 6lxt | DB13685 | Quingestanol | PCJFRMOEZQQSAX-AIOSZGMZSA-N | S2 unit |
| -8.7 | 6lxt | DB11616 | Pirarubicin | KMSKQZKKOZQFFG-YXRRJAAWSA-N | S2 unit |
| -8.7 | 6m3m | DB05524 | Pelitinib | WVUNYSQLFKLYNI-AATRIKPKSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB08087 | 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE | NHBIWLQQJPSMNP-CABCVRRESA-N | spike glycoprotein |
| -8.7 | 6vxx | DB08064 | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | NTMADESEDXKNFZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB07287 | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL | AOVDSWPGWPRTSR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB08056 | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | KKYYLKPGILUPOA-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB01732 | (4r,5s,6s,7r)-1,3-Dibenzyl-4,7-Bis(Phenoxymethyl)-5,6-Dihydroxy-1,3 Diazepan-2-One | SQBOSZXDOHQFAA-ZRTHHSRSSA-N | 3CL pro |
| -8.7 | 6cs2 | DB07263 | [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | WDTMVBQZDFMOIK-GOSISDBHSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB01713 | Udp-Alpha-D-Xylopyranose | DQQDLYVHOTZLOR-OCIMBMBZSA-N | 3CL pro |
| -8.7 | 6m3m | DB05498 | KW-7158 | NAFSYPCVPLWHFY-HNNXBMFYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB08039 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | LOGJQOUIVKBFGH-YBEGLDIGSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB12988 | LY-518674 | PNHFDVSKDSLUFH-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m2n | DB12998 | PF-00217830 | QGNOXTFZOLDODX-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 7bv1 | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9q | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6w9q | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6lxt | DB11637 | Delamanid | XDAOLTSRNUSPPH-XMMPIXPASA-N | S2 unit |
| -8.7 | 7bv1 | DB04038 | Ergosterol | DNVPQKQSNYMLRS-APGDWVJJSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB12002 | AZD-4818 | HVTUHSABWJPWNK-SFHVURJKSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB12649 | Ibipinabant | AXJQVVLKUYCICH-OAQYLSRUSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB12941 | ODM-201 | BLIJXOOIHRSQRB-PXYINDEMSA-N | 3CL pro |
| -8.7 | 6cs2 | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB08514 | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | IQKMJWDYMFWZRF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6cs2 | DB07131 | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide | DOTBZTLJSXFKCP-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -8.7 | 7bv1 | DB13991 | Pipequaline | AMEWZCMTSIONOX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB06090 | Bradanicline | OXKRFEWMSWPKKV-GHTZIAJQSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lzg | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6m71 | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB05903 | KOS-1584 | XAYAKDZVINDZGB-BMVMHAJPSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB05861 | Tasquinimod | ONDYALNGTUAJDX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB01859 | 4-Diphosphocytidyl-2-C-Methyl-D-Erythritol 2-Phosphate | HTJXTKBIUVFUAR-XHIBXCGHSA-N | 3CL pro |
| -8.7 | 6vxx | DB08437 | Puromycin | RXWNCPJZOCPEPQ-NVWDDTSBSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB07203 | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE | OUEGMEMDEAOAEG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6w9q | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6vxx | DB08416 | (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOX1TRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE | AQSNIXKAKUZPSI-SSTWWWIQSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB05767 | Andrographolide | BOJKULTULYSRAS-OTESTREVSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB12039 | Epicatechin | PFTAWBLQPZVEMU-UKRRQHHQSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB13685 | Quingestanol | PCJFRMOEZQQSAX-AIOSZGMZSA-N | PL pro |
| -8.7 | 6m2n | DB12721 | RO-5028442 | QZXVLRCMAHJVIP-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m71 | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m71 | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m71 | DB11878 | Filibuvir | SLVAPEZTBDBAPI-GDLZYMKVSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB02717 | Cellotetraose | LUEWUZLMQUOBSB-HGDSAIHNSA-N | 3CL pro |
| -8.7 | 6vxx | DB13580 | Succinylsulfathiazole | SKVLYVHULOWXTD-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB13579 | Mepixanox | PYSOHOOUXFWCFF-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB01661 | 1-(5-phospho-D-ribosyl)-ATP | RKNHJBVBFHDXGR-MRUDJCSFSA-N | nucleocapsid protein |
| -8.7 | 6m2n | DB12623 | Taprenepag | MFFBXYNKZHTCEY-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6vxx | DB13532 | Cyclopenthiazide | BKYKPTRYDKTTJY-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB06743 | Ginkgolide A | FPUXKXIZEIDQKW-VKMVSBOZSA-N | nucleocapsid protein |
| -8.7 | 6w9q | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6lxt | DB12336 | GDC-0917 | HSHPBORBOJIXSQ-HARLFGEKSA-N | S2 unit |
| -8.7 | 6m2n | DB02675 | (4-Hydroxymaltosephenyl)Glycine | PHPOPZGUOBMSPZ-QHJSCRBTSA-N | 3CL pro |
| -8.7 | 6vxx | DB13451 | Tioclomarol | WRGOVNKNTPWHLZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB11836 | Sapanisertib | GYLDXIAOMVERTK-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB06229 | Ocaperidone | ZZQNEJILGNNOEP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB06267 | Udenafil | IYFNEFQTYQPVOC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB01415 | Ceftibuten | UNJFKXSSGBWRBZ-BJCIPQKHSA-N | 3CL pro |
| -8.7 | 6vxx | DB13616 | Melagatran | DKWNMCUOEDMMIN-PKOBYXMFSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB05936 | CVT-6883 | KOYXXLLNCXWUNF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB05913 | OSI-930 | FGTCROZDHDSNIO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB13994 | AZD-7325 | KYDURMHFWXCKMW-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB15109 | Ingenol disoxate | GLIUZQUNUNICGS-XUBYYPQFSA-N | spike glycoprotein |
| -8.7 | 6crv | DB00805 | Minaprine | LDMWSLGGVTVJPG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB11737 | Icotinib | QQLKULDARVNMAL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB01406 | Danazol | POZRVZJJTULAOH-LHZXLZLDSA-N | 3CL pro |
| -8.7 | 6vxx | DB15063 | Inarigivir soproxil | CJCYTUJOSMYXLE-JDLSZIHUSA-N | spike glycoprotein |
| -8.7 | 6crv | DB00783 | Estradiol | VOXZDWNPVJITMN-ZBRFXRBCSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB03067 | 4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | VFYAZSTYKPFSFL-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6m71 | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6cs2 | DB06281 | Torcetrapib | CMSGWTNRGKRWGS-NQIIRXRSSA-N | ACE2 area for S-protein binding |
| -8.7 | 6w9q | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | nsp9 RNA-replicase |
| -8.7 | 7bv1 | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB06829 | 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID | RXDVFLTWXCTCEX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lzg | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6cs2 | DB05575 | Motesanib | RAHBGWKEPAQNFF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB06800 | Methylnaltrexone | JVLBPIPGETUEET-WIXLDOGYSA-O | nucleocapsid protein |
| -8.7 | 6vxx | DB14035 | Englitazone | MVDXXGIBARMXSA-PYUWXLGESA-N | spike glycoprotein |
| -8.7 | 6w9q | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6lxt | DB09209 | Pholcodine | GPFAJKDEDBRFOS-FKQDBXSBSA-N | S2 unit |
| -8.7 | 7bv1 | DB15238 | Olinciguat | YWQFJNWMWZMXRW-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lzg | DB02226 | 3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium | NAARZDJZGYBXKL-UHFFFAOYSA-O | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6vxx | DB13002 | HKI-357 | NERXPXBELDBEPZ-RMKNXTFCSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB06603 | Panobinostat | FPOHNWQLNRZRFC-ZHACJKMWSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB06608 | Tafenoquine | LBHLFPGPEGDCJG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6w9q | DB12318 | BMS-599626 | LUJZZYWHBDHDQX-QFIPXVFZSA-N | nsp9 RNA-replicase |
| -8.7 | 6cs2 | DB06624 | Taranabant | QLYKJCMUNUWAGO-GAJHUEQPSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB06457 | Tecastemizole | SFOVDSLXFUGAIV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6w9q | DB07025 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE | KBIHHEGEALBUMT-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6crv | DB00344 | Protriptyline | BWPIARFWQZKAIA-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9q | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6crv | DB00342 | Terfenadine | GUGOEEXESWIERI-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6crv | DB00317 | Gefitinib | XGALLCVXEZPNRQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB12138 | PF-03715455 | VGEXRDWWPSGZDH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB06403 | Ambrisentan | OUJTZYPIHDYQMC-LJQANCHMSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB01594 | Cinolazepam | XAXMYHMKTCNRRZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB00298 | Dapiprazole | RFWZESUMWJKKRN-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB12379 | Indirubin | CRDNMYFJWFXOCH-BUHFOSPRSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB12432 | CC-401 | XDJCLCLBSGGNKS-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB12085 | LCL-161 | UFPFGVNKHCLJJO-SSKFGXFMSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB00470 | Dronabinol | CYQFCXCEBYINGO-IAGOWNOFSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB02611 | Balanol Analog 1 | FZJQHARRQUNVGZ-QZTJIDSGSA-N | 3CL pro |
| -8.7 | 6w9q | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | nsp9 RNA-replicase |
| -8.7 | 6m3m | DB01633 | Deoxy-2-fluoro-beta-D-cellotrioside | BZNXZJAUEMJQJB-QSCMNUSVSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB12998 | PF-00217830 | QGNOXTFZOLDODX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6crv | DB11861 | Litronesib | YVAFBXLHPINSIK-QHCPKHFHSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB12974 | Roniciclib | UELYDGOOJPRWGF-SRQXXRKNSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB02567 | PD173955 | VAARYSWULJUGST-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6cs2 | DB06519 | Edaglitazone | HAAXAFNSRADSMK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB06625 | Vipadenant | HQSBCDPYXDGTCL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6m3m | DB06608 | Tafenoquine | LBHLFPGPEGDCJG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB12933 | RO-4987655 | FIMYFEGKMOCQKT-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB12927 | Theodrenaline | WMCMJIGLYZDKRN-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB12926 | Cafedrine | UJSKUDDDPKGBJY-WFASDCNBSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB06604 | Ilepatril | FXKFFTMLFPWYFH-RDGPPVDQSA-N | nucleocapsid protein |
| -8.7 | 6w9q | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.7 | 6cs2 | DB06515 | Resiniferatoxin | DSDNAKHZNJAGHN-MXTYGGKSSA-N | ACE2 area for S-protein binding |
| -8.7 | 6cs2 | DB06446 | Dotarizine | LRMJAFKKJLRDLE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m3m | DB02023 | 8-Oxo-2'-Deoxy-Guanosine-5'-Monophosphate | AQIVLFLYHYFRKU-VPENINKCSA-N | nucleocapsid protein |
| -8.7 | 6w4h | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | nsp16 - nsp10 |
| -8.7 | 6m3m | DB07648 | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL | TWEONIHFGKSPLC-MRXNPFEDSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB07393 | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE | GSKNNHAAFLPYHG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB06622 | 7-beta-Hydroxyepiandrosterone | VFPMCLQMAUVEHD-UCPSWNCLSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | PL pro |
| -8.7 | 6lxt | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6w9c | DB12705 | Cenerimod | KJKKMMMRWISKRF-FQEVSTJZSA-N | PL pro |
| -8.7 | 6m3m | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 7bv1 | DB04669 | TRIAZOLOPYRIMIDINE | YWBFPKPWMSWWEA-UHFFFAOYSA-O | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB04859 | Zanapezil | PMBLXLOXUGVTGB-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01476 | Haloxazolam | XDKCGKQHVBOOHC-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB07467 | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide | NDDAHWYSQHTHNT-JTQLQIEISA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB04842 | Fluspirilene | QOYHHIBFXOOADH-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB06896 | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide | OBSFXHDOLBYWRJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB04376 | 13-Acetylphorbol | SDSVJYOOAPRSDA-RPCQODIISA-N | 3CL pro |
| -8.7 | 6vxx | DB07901 | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | HIUOABSWQSUEGK-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB13451 | Tioclomarol | WRGOVNKNTPWHLZ-UHFFFAOYSA-N | PL pro |
| -8.7 | 7bv1 | DB07545 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | RDTDWGQDFJPTPD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB04424 | RPR128515 | XFKVLKLCLYJKNF-MZNJEOGPSA-N | 3CL pro |
| -8.7 | 6cs2 | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | ACE2 area for S-protein binding |
| -8.7 | 6w9c | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | PL pro |
| -8.7 | 7bv1 | DB12345 | MBX-2982 | NFTMKHWBOINJGM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB06899 | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | RMEVNJZCKDVVND-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB06228 | Rivaroxaban | KGFYHTZWPPHNLQ-AWEZNQCLSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB11877 | Basmisanil | VCGRFBXVSFAGGA-UHFFFAOYSA-N | PL pro |
| -8.7 | 6crv | DB08934 | Sofosbuvir | TTZHDVOVKQGIBA-IQWMDFIBSA-N | spike glycoprotein |
| -8.7 | 6lzg | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.7 | 6w9c | DB12665 | Isoquercetin | OVSQVDMCBVZWGM-QSOFNFLRSA-N | PL pro |
| -8.7 | 6cs2 | DB03480 | Brequinar Analog | WYKKHJQZENLZID-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6m2n | DB11979 | Elagolix | HEAUOKZIVMZVQL-VWLOTQADSA-N | 3CL pro |
| -8.7 | 6m71 | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6vxx | DB04886 | Calanolide A | NIDRYBLTWYFCFV-FMTVUPSXSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB06944 | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide | RIGZCVNCFXYBEG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB07595 | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE | WSIQKQLAGWVKSL-UHFFFAOYSA-O | nucleocapsid protein |
| -8.7 | 6vxx | DB06959 | (2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine | BUCZDJYEOAQTHL-KEKNWZKVSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | spike glycoprotein |
| -8.7 | 6cs2 | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB04882 | Edotecarin | QMVPQBFHUJZJCS-NTKFZFFISA-N | spike glycoprotein |
| -8.7 | 6m2n | DB01147 | Cloxacillin | LQOLIRLGBULYKD-JKIFEVAISA-N | 3CL pro |
| -8.7 | 7bv1 | DB07835 | N-3-cyclopropyl-N-4-'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide | BOPSUAHGQHFKGG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6w9c | DB12812 | Palomid 529 | YEAHTLOYHVWAKW-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB06412 | Oxymetholone | ICMWWNHDUZJFDW-DHODBPELSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m2n | DB12147 | Erdafitinib | OLAHOMJCDNXHFI-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6crv | DB08931 | Riociguat | WXXSNCNJFUAIDG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB12167 | LY-3023414 | ACCFLVVUVBJNGT-AWEZNQCLSA-N | 3CL pro |
| -8.7 | 6m71 | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m71 | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6lxt | DB14766 | Etrasimod | MVGWUTBTXDYMND-QGZVFWFLSA-N | S2 unit |
| -8.7 | 6vxx | DB07533 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE | FJJJERLTHDXEPT-JYRVWZFOSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB12929 | JNJ-39220675 | IQOWHZHNGJXGHG-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB12857 | NVP-LEQ-506 | POERAARDVFVDLO-QGZVFWFLSA-N | PL pro |
| -8.7 | 6vxx | DB06918 | 2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE | ZRYXDGAKQGRHFG-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01545 | Ethyl loflazepate | CUCHJCMWNFEYOM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB11943 | Delafloxacin | DYDCPNMLZGFQTM-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB07845 | 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | VGYXXQRDIVRILX-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m71 | DB07020 | N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | LMDMJDCLPIVGQD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 7bv1 | DB07539 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID | JLRKRQCTYQGDKJ-GHXNOFRVSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 7bv1 | DB04942 | Tamibarotene | MUTNCGKQJGXKEM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB04807 | 4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | HQYVHBCTLFPWRQ-ZMFOIVQCSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB01571 | 3-Methylfentanyl | MLQRZXNZHAOCHQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB04792 | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | CDEVHSIVANGYRI-XMTFNYHQSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB07352 | Apigenin | KZNIFHPLKGYRTM-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB06886 | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL | MACLRJNEKXUAJK-YDLSIGKMSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB04778 | SC45647 | LPSXGZAUAOMRNU-FZKQIMNGSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB01482 | Fenethylline | NMCHYWGKBADVMK-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | 3CL pro |
| -8.7 | 6m2n | DB04097 | Uridine-5'-Diphosphate-4-Deoxy-4-Fluoro-Alpha-D-Galactose | OAPPZHVTNHJVAL-JZMIEXBBSA-N | 3CL pro |
| -8.7 | 6w9c | DB13631 | Methoserpidine | ULBNWNUHGJLQHO-VKMIBBQISA-N | PL pro |
| -8.7 | 6lxt | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | S2 unit |
| -8.7 | 6m3m | DB04791 | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | DKBAWRNTUZFJKV-BSDSXHPESA-N | nucleocapsid protein |
| -8.7 | 6w9c | DB12101 | CC-220 | IXZOHGPZAQLIBH-NRFANRHFSA-N | PL pro |
| -8.7 | 6w9c | DB12591 | BMS-911543 | JCINBYQJBYJGDM-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m3m | DB02058 | SU4984 | AZGZGRJOCKSSHA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB01586 | Ursodeoxycholic acid | RUDATBOHQWOJDD-UZVSRGJWSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | PL pro |
| -8.7 | 6cs2 | DB03351 | Sri-9439 | KMSATRJZEXNGDP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.7 | 6vxx | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB13246 | Quinupramine | JCBQCKFFSPGEDY-UHFFFAOYSA-N | PL pro |
| -8.7 | 6vxx | DB06117 | 1alpha,24S-Dihydroxyvitamin D2 | ODZFJAXAEXQSKL-WRJREGAQSA-N | spike glycoprotein |
| -8.7 | 6lxt | DB03723 | 2'-Deoxy-Thymidine-Beta-L-Rhamnose | ZOSQFDVXNQFKBY-CGAXJHMRSA-N | S2 unit |
| -8.7 | 6m3m | DB07531 | 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | JNPRTUHVCHGFHJ-GHXNOFRVSA-N | nucleocapsid protein |
| -8.7 | 6vxx | DB07791 | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE | MZWCVBFANHIPTJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6crv | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB11805 | Saracatinib | OUKYUETWWIPKQR-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m2n | DB12120 | Avoralstat | TUWMKPVJGGWGNL-UHFFFAOYSA-N | 3CL pro |
| -8.7 | 6m3m | DB04757 | GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE | GKAPYWCOOQBBHV-KXSYMAMXSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB01456 | 5-androstenedione | SQGZFRITSMYKRH-QAGGRKNESA-N | spike glycoprotein |
| -8.7 | 7bv1 | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB07049 | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine | SOFGQQQVQZQJFS-MRXNPFEDSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB12141 | Gilteritinib | GYQYAJJFPNQOOW-UHFFFAOYSA-N | PL pro |
| -8.7 | 6m71 | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6m3m | DB07679 | (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid | RRAAROKJUVKWAF-RDJZCZTQSA-N | nucleocapsid protein |
| -8.7 | 6crv | DB01524 | Androstenediol | QADHLRWLCPCEKT-LOVVWNRFSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB12643 | Nelivaptan | NJXZWIIMWNEOGJ-WEWKHQNJSA-N | PL pro |
| -8.7 | 6crv | DB08820 | Ivacaftor | PURKAOJPTOLRMP-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6m3m | DB02342 | 2-Methox1tradiol | CQOQDQWUFQDJMK-SSTWWWIQSA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB07354 | 2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM | LXDREMZQGAILJU-UHFFFAOYSA-O | spike glycoprotein |
| -8.7 | 6w9c | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | PL pro |
| -8.7 | 6w9c | DB12924 | Ozenoxacin | XPIJWUTXQAGSLK-UHFFFAOYSA-N | PL pro |
| -8.7 | 6lxt | DB03903 | Tmr | KGFLZYXDJDOIEE-UHFFFAOYSA-N | S2 unit |
| -8.7 | 6m2n | DB03996 | 3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol | QBZAPFWYAPXRGQ-KRWDZBQOSA-N | 3CL pro |
| -8.7 | 6m3m | DB07683 | N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine | RZWYSEXQXOXWKA-INIZCTEOSA-N | nucleocapsid protein |
| -8.7 | 6m71 | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.7 | 6vxx | DB06635 | Otamixaban | PFGVNLZDWRZPJW-OPAMFIHVSA-N | spike glycoprotein |
| -8.7 | 6vxx | DB04930 | Permethrin | RLLPVAHGXHCWKJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.7 | 6w9c | DB13266 | Cefatrizine | UOCJDOLVGGIYIQ-PBFPGSCMSA-N | PL pro |
| -8.7 | 6vxx | DB07066 | 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | LJAHIGGEXIWVJG-LLVKDONJSA-N | spike glycoprotein |
| -8.7 | 6m2n | DB03984 | Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide | MWTQNXVXPLTHJB-YADHBBJMSA-N | 3CL pro |
| -8.7 | 6w9c | DB12627 | GSK-1292263 | AYJRTVVIBJSSKN-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB00933 | Mesoridazine | SLVMESMUVMCQIY-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB01067 | Glipizide | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB01025 | Amlexanox | SGRYPYWGNKJSDL-UHFFFAOYSA-N | PL pro |
| -8.6 | 6cs2 | DB12015 | Alpelisib | STUWGJZDJHPWGZ-LBPRGKRZSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB13793 | Vinburnine | WYJAPUKIYAZSEM-MOPGFXCFSA-N | spike glycoprotein |
| -8.6 | 6w9q | DB05039 | Indacaterol | QZZUEBNBZAPZLX-QFIPXVFZSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB01013 | Clobetasol propionate | CBGUOGMQLZIXBE-XGQKBEPLSA-N | PL pro |
| -8.6 | 6m2n | DB15192 | ABT-288 | GNIRITULTPTAQW-KNQAVFIVSA-N | 3CL pro |
| -8.6 | 6w9c | DB12320 | Palovarotene | YTFHCXIPDIHOIA-DHZHZOJOSA-N | PL pro |
| -8.6 | 6crv | DB04142 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide | FEYGJZKVMASWJB-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB07140 | 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | JPENSYBRTSIYGO-AWEZNQCLSA-N | 3CL pro |
| -8.6 | 6w9c | DB00860 | Prednisolone | OIGNJSKKLXVSLS-VWUMJDOOSA-N | PL pro |
| -8.6 | 6crv | DB00445 | Epirubicin | AOJJSUZBOXZQNB-VTZDEGQISA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB02155 | Balanol Analog 8 | XVLMXAUKCDSMMW-YXLARRHKSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB00543 | Amoxapine | QWGDMFLQWFTERH-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lxt | DB11645 | PF-4191834 | DVNQWYLVSNPCJZ-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6vxs | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6lzg | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6lzg | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB12295 | Evodenoson | SQJXTUJMBYVDBB-RQXXJAGISA-N | PL pro |
| -8.6 | 6crv | DB13237 | Clofoctol | HQVZOORKDNCGCK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB00683 | Midazolam | DDLIGBOFAVUZHB-UHFFFAOYSA-N | PL pro |
| -8.6 | 6cs2 | DB12857 | NVP-LEQ-506 | POERAARDVFVDLO-QGZVFWFLSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w9c | DB08816 | Ticagrelor | OEKWJQXRCDYSHL-FNOIDJSQSA-N | PL pro |
| -8.6 | 6lzg | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB00621 | Oxandrolone | QSLJIVKCVHQPLV-PEMPUTJUSA-N | PL pro |
| -8.6 | 6w9q | DB07026 | (1S,5S,7R)-N-7-(BIPHENYL-4-YLMETHYL)-N-3-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | PPLDARNGJSQINK-OKZBNKHCSA-N | nsp9 RNA-replicase |
| -8.6 | 6m2n | DB04793 | 1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol | DKBAWRNTUZFJKV-XMTFNYHQSA-N | 3CL pro |
| -8.6 | 7bv1 | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9c | DB08881 | Vemurafenib | GPXBXXGIAQBQNI-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB04790 | 2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol | IBIUTOFGXGGVKQ-XMTFNYHQSA-N | 3CL pro |
| -8.6 | 6w9c | DB00568 | Cinnarizine | DERZBLKQOCDDDZ-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB11841 | Entinostat | INVTYAOGFAGBOE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB00678 | Losartan | PSIFNNKUMBGKDQ-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB07141 | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | QVXYJVHNRPNRJL-HNNXBMFYSA-N | 3CL pro |
| -8.6 | 6w9c | DB00719 | Azatadine | SEBMTIQKRHYNIT-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB07156 | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione | JFEKAVPMVOLVTH-UNOMPAQXSA-N | 3CL pro |
| -8.6 | 6w9c | DB08743 | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE | XJNKUWDMCBZMTG-OAHLLOKOSA-N | PL pro |
| -8.6 | 6w9c | DB08750 | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE | SFPCNWQWKOUNRT-UHFFFAOYSA-N | PL pro |
| -8.6 | 7bv1 | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB13788 | Chlorbenzoxamine | VEVSKUJZSMGTMM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w9c | DB00897 | Triazolam | JOFWLTCLBGQGBO-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9q | DB06248 | Amelubant | SBVYURPQULDJTI-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6m2n | DB07144 | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | XZXVRKHUCSXVBM-AWEZNQCLSA-N | 3CL pro |
| -8.6 | 6lzg | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 7bv1 | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB07935 | 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile | JYAHFMKZJRVTDT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9q | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | nsp9 RNA-replicase |
| -8.6 | 6m2n | DB02358 | LY374571 | SZHRIPFGZWWRKW-VIFPVBQESA-N | 3CL pro |
| -8.6 | 6w9q | DB06875 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | NSSOSHDCWCMNDM-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6m3m | DB05100 | Prinomastat | YKPYIPVDTNNYCN-INIZCTEOSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB02205 | 6-(1,1-Dimethylallyl)-2-(1-Hydroxy-1-Methylethyl)-2,3-Dihydro-7h-Furo[3,2-G]Chromen-7-One | JCDLLLXYAICSQV-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB13552 | Trifluperidol | GPMXUUPHFNMNDH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB00370 | Mirtazapine | RONZAEMNMFQXRA-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB00831 | Trifluoperazine | ZEWQUBUPAILYHI-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB00808 | Indapamide | NDDAHWYSQHTHNT-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB00358 | Mefloquine | XEEQGYMUWCZPDN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9q | DB06666 | Lixivaptan | PPHTXRNHTVLQED-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6crv | DB01958 | 5-[4-Tert-Butylphenylsulfanyl]-2,4-Quinazolinediamine | MNYDVPDMLAJJPB-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB00912 | Repaglinide | FAEKWTJYAYMJKF-QHCPKHFHSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB06609 | Odiparcil | JRHNIQQUVJOPQC-AQNFWKISSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB06729 | Sulfaphenazole | QWCJHSGMANYXCW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB11686 | Iferanserin | UXIPFQUBOVWAQW-UEBLJOKOSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB01668 | Nanaomycin D | XUWPJKDMEZSVTP-UOSCCXBLSA-N | PL pro |
| -8.6 | 6lzg | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB07011 | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE | HHOPJGKEAIIIDF-FQEVSTJZSA-N | 3CL pro |
| -8.6 | 6w9c | DB12394 | Eleclazine | YNUAEEJQYHYLMS-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB01591 | Solifenacin | FBOUYBDGKBSUES-VXKWHMMOSA-N | PL pro |
| -8.6 | 6w9c | DB01586 | Ursodeoxycholic acid | RUDATBOHQWOJDD-UZVSRGJWSA-N | PL pro |
| -8.6 | 6crv | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | spike glycoprotein |
| -8.6 | 6w9q | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB01564 | Calusterone | IVFYLRMMHVYGJH-PVPPCFLZSA-N | PL pro |
| -8.6 | 6m2n | DB07022 | 3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate | PXERBGNIBOFZOW-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6crv | DB14636 | Triciribine phosphate | URLYINUFLXOMHP-HTVVRFAVSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB08547 | PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE | JBBNFGYRYNBDIH-DBGGZKJISA-N | PL pro |
| -8.6 | 6lzg | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB01540 | 17alpha-methyl-4-hydroxynandrolone | CLNUZOCYKSHICX-FAHHUNKHSA-N | PL pro |
| -8.6 | 6m2n | DB01413 | Cefepime | HVFLCNVBZFFHBT-ZKDACBOMSA-N | 3CL pro |
| -8.6 | 6m3m | DB11736 | PF-00489791 | ZUHZNKJIJDAJFD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB06933 | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | GJTCKUKIFXWJKG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB00580 | Valdecoxib | LNPDTQAFDNKSHK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB11712 | Tezacaftor | MJUVRTYWUMPBTR-MRXNPFEDSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB01029 | Irbesartan | YOSHYTLCDANDAN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB09371 | Norethynodrel | ICTXHFFSOAJUMG-SLHNCBLASA-N | S2 unit |
| -8.6 | 6w9c | DB08531 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CVYWYUAQFJMLEO-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB01792 | Adenylyl-3'-5'-Phospho-Uridine-3'-Monophosphate | FZCSEXOMUJFOHQ-KPKSGTNCSA-N | PL pro |
| -8.6 | 6crv | DB03785 | (3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-Dimethyl-8-{[(2r)-2-Methylbutanoyl]Oxy}-1,2,6,7,8,8a-Hexahydronaphthalen-1-Yl)-3,5-Dihydroxyheptanoic Acid | QLJODMDSTUBWDW-BXMDZJJMSA-N | spike glycoprotein |
| -8.6 | 6crv | DB00654 | Latanoprost | GGXICVAJURFBLW-CEYXHVGTSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB06494 | Sufugolix | UCQSBGOFELXYIN-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6cs2 | DB12122 | Figopitant | HUTHJVYJUPXHDF-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w9c | DB01990 | Cholesterol sulfate | BHYOQNUELFTYRT-DPAQBDIFSA-N | PL pro |
| -8.6 | 6m3m | DB00719 | Azatadine | SEBMTIQKRHYNIT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB06747 | ginkgolide-M | KDKROYXEHCYLJQ-FJFAJXJPSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB08487 | 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | PRMSFVUWLBPPLY-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB01946 | 3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione | UQHKJRCFSLMWIA-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB08174 | 5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE | QCPYHSAHOYXXQK-DLBZAZTESA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB11644 | Tafamidis | TXEIIPDJKFWEEC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB08493 | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID | AKWKBACKRMYPRV-NQIIRXRSSA-N | PL pro |
| -8.6 | 6crv | DB00652 | Pentazocine | VOKSWYLNZZRQPF-GDIGMMSISA-N | spike glycoprotein |
| -8.6 | 6w9q | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB08503 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | HRCKGDOSPBFICB-MZHQWRCYSA-N | PL pro |
| -8.6 | 6w9c | DB08504 | 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM | ZNHVIJAGMFQGMS-IHPCNDPISA-N | PL pro |
| -8.6 | 6w9c | DB01873 | Epothilone D | XOZIUKBZLSUILX-GIQCAXHBSA-N | PL pro |
| -8.6 | 6w9c | DB08521 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | CDMGBJANTYXAIV-HHHXNRCGSA-N | PL pro |
| -8.6 | 6crv | DB03880 | Batimastat | XFILPEOLDIKJHX-QYZOEREBSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB04186 | N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea | KLVYMYQTRZCMLE-CYBMUJFWSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB01720 | (2z)-2-(Benzoylamino)-3-[4-(2-Bromophenoxy)Phenyl]-2-Propenoic Acid | WLPJLQNKCJWAFL-RGEXLXHISA-N | PL pro |
| -8.6 | 6m3m | DB00846 | Flurandrenolide | POPFMWWJOGLOIF-XWCQMRHXSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB11745 | Otenabant | UNAZAADNBYXMIV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB06684 | Vilazodone | SGEGOXDYSFKCPT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB04069 | 5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine | QKVREUJWFZJEJK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB07974 | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE | BDLMBQRBNPDCSS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB04070 | 6-Deoxyerythronolide B | HQZOLNNEQAKEHT-IBBGRPSASA-N | spike glycoprotein |
| -8.6 | 6vxs | DB11763 | Momelotinib | ZVHNDZWQTBEVRY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6lzg | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB02587 | Colforsin | OHCQJHSOBUTRHG-KGGHGJDLSA-N | 3CL pro |
| -8.6 | 6vxs | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB13276 | Idanpramine | HVYGXNYMNHSBGD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB01030 | Topotecan | UCFGDBYHRUNTLO-QHCPKHFHSA-N | 3CL pro |
| -8.6 | 6crv | DB14787 | BMS-830216 | YDTUJCNTIMWHPJ-NRFANRHFSA-N | spike glycoprotein |
| -8.6 | 6crv | DB00535 | Cefdinir | RTXOFQZKPXMALH-GHXIOONMSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB00611 | Butorphanol | IFKLAQQSCNILHL-PWRODBHTSA-N | 3CL pro |
| -8.6 | 6crv | DB04073 | N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(beta-D-galactopyranosyloxy)-5-nitrobenzamide | UEIGEWJJVQHIAX-DLBZZEGUSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB01216 | Finasteride | DBEPLOCGEIEOCV-WSBQPABSSA-N | PL pro |
| -8.6 | 7bv1 | DB15250 | Vercirnon | JRWROCIMSDXGOZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9c | DB12379 | Indirubin | CRDNMYFJWFXOCH-BUHFOSPRSA-N | PL pro |
| -8.6 | 6crv | DB13275 | Clorindione | NJDUWAXIURWWLN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB12350 | Rostafuroxin | AEAPORIZZWBIEX-DTBDINHYSA-N | PL pro |
| -8.6 | 6w9c | DB01179 | Podofilox | YJGVMLPVUAXIQN-XVVDYKMHSA-N | PL pro |
| -8.6 | 6vxs | DB06858 | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | MMLOIDMSBRJZAE-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB07054 | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | OSCWQKTUILTARV-MRXNPFEDSA-N | 3CL pro |
| -8.6 | 7bv1 | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB15207 | Esaxerenone | NOSNHVJANRODGR-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lzg | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB01476 | Haloxazolam | XDKCGKQHVBOOHC-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB06897 | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol | MMGKIHLBFPJYJL-HNNXBMFYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB02004 | 5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine | RCJFINNFYUNFGH-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB01469 | Acetorphine | LFYBMMHFJIAKFE-PMEKXCSPSA-N | PL pro |
| -8.6 | 6m2n | DB15219 | Tomivosertib | HKTBYUWLRDZAJK-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m3m | DB00607 | Nafcillin | GPXLMGHLHQJAGZ-JTDSTZFVSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB04338 | SB220025 | VSPFURGQAYMVAN-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB15209 | MK-0736 | ORQZQBUNAMJFCY-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB01452 | Diamorphine | GVGLGOZIDCSQPN-PVHGPHFFSA-N | PL pro |
| -8.6 | 6lzg | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 7bv1 | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | YBKLJTXDSBEVRV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB07540 | 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE | AKFVRSQELXTCFW-JYRVWZFOSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB06673 | Almorexant | DKMACHNQISHMDN-RPLLCQBOSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB01426 | Ajmaline | CJDRUOGAGYHKKD-HEFSZTOGSA-N | PL pro |
| -8.6 | 6cs2 | DB12055 | MK-0767 | ORZMUVMQJPGFOM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB07067 | (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE | SQCDMTZMCHZYGO-FZMZJTMJSA-N | 3CL pro |
| -8.6 | 6w9c | DB01380 | Cortisone acetate | ITRJWOMZKQRYTA-RFZYENFJSA-N | PL pro |
| -8.6 | 6w9c | DB01347 | Saprisartan | DUEWVPTZCSAMNB-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB11957 | Idalopirdine | YBAWYTYNMZWMMJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6cs2 | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxs | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB14066 | Tetrandrine | WVTKBKWTSCPRNU-KYJUHHDHSA-N | nsp16 - nsp10 |
| -8.6 | 6w9c | DB11629 | Laropiprant | NXFFJDQHYLNEJK-CYBMUJFWSA-N | PL pro |
| -8.6 | 6crv | DB04712 | ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE | ADKWVGPRAQKVKB-YIYPIFLZSA-N | spike glycoprotein |
| -8.6 | 6crv | DB13174 | Rhein | FCDLCPWAQCPTKC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB04715 | IMIDAZOPYRIDAZIN 1 | IVUBNTNWKIPCPS-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9q | DB12228 | Telcagepant | CGDZXLJGHVKVIE-DNVCBOLYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9q | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6crv | DB14938 | Flurbiprofen axetil | ALIVXCSEERJYHU-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB11805 | Saracatinib | OUKYUETWWIPKQR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w4h | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB05864 | PPI-2458 | QBDVVYNLLXGUGN-XGTBZJOHSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6lxt | DB12494 | SGI-1776 | MHXGEROHKGDZGO-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6vxs | DB06207 | Silodosin | PNCPYILNMDWPEY-QGZVFWFLSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB11894 | Efatutazone | JCYNMRJCUYVDBC-UHFFFAOYSA-N | PL pro |
| -8.6 | 7bv1 | DB13164 | Olmutinib | FDMQDKQUTRLUBU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9q | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB11892 | Prulifloxacin | PWNMXPDKBYZCOO-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB00408 | Loxapine | XJGVXQDUIWGIRW-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9q | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | nsp9 RNA-replicase |
| -8.6 | 6w4h | DB13943 | Testosterone cypionate | HPFVBGJFAYZEBE-ZLQWOROUSA-N | nsp16 - nsp10 |
| -8.6 | 6w9c | DB11901 | Apalutamide | HJBWBFZLDZWPHF-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB00683 | Midazolam | DDLIGBOFAVUZHB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | ACE2 area for S-protein binding |
| -8.6 | 7bv1 | DB06510 | Muraglitazar | IRLWJILLXJGJTD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB13816 | Aspoxicillin | BHELIUBJHYAEDK-OAIUPTLZSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9q | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB11424 | Lufenuron | PWPJGUXAGUPAHP-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB06148 | Mianserin | UEQUQVLFIPOEMF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB14716 | Clonazolam | XJRGLCAWBRZUFC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxs | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB11442 | Oleandomycin | RZPAKFUAFGMUPI-QESOVKLGSA-N | PL pro |
| -8.6 | 6w9q | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6cs2 | DB12998 | PF-00217830 | QGNOXTFZOLDODX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 7bv1 | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB01771 | CRA_10991 | QXAURVOBXQBPAP-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB00436 | Bendroflumethiazide | HDWIHXWEUNVBIY-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9q | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | nsp9 RNA-replicase |
| -8.6 | 6crv | DB04659 | (1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE | LZDZCEOFJWRJIA-GGASBGQWSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB00682 | Warfarin | PJVWKTKQMONHTI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB05187 | Elafibranor | AFLFKFHDSCQHOL-IZZDOVSWSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB00434 | Cyproheptadine | JJCFRYNCJDLXIK-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m3m | DB12183 | Sapitinib | DFJSJLGUIXFDJP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB14555 | Ursadiol | RTLXJEJRLWILSU-GWNGJUQLSA-N | nsp16 - nsp10 |
| -8.6 | 6w9c | DB11551 | Trenbolone | MEHHPFQKXOUFFV-OWSLCNJRSA-N | PL pro |
| -8.6 | 6wiq | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.6 | 6cs2 | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m3m | DB07791 | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE | MZWCVBFANHIPTJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB13728 | Halometasone | GGXMRPUKBWXVHE-MIHLVHIWSA-N | nsp16 - nsp10 |
| -8.6 | 6w9c | DB11741 | Famitinib | GKEYKDOLBLYGRB-LGMDPLHJSA-N | PL pro |
| -8.6 | 6m3m | DB07713 | (1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid | BZVYQWLRCHLAGK-KRWDZBQOSA-N | nucleocapsid protein |
| -8.6 | 1r42 | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | ACE2 area with important AAs |
| -8.6 | 6w9c | DB11750 | Clobetasol | FCSHDIVRCWTZOX-DVTGEIKXSA-N | PL pro |
| -8.6 | 6vxs | DB05653 | IRX-5183 | PNAWUIKCVQSLFG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB01586 | Ursodeoxycholic acid | RUDATBOHQWOJDD-UZVSRGJWSA-N | 3CL pro |
| -8.6 | 6w4h | DB13094 | Pruvanserin | AQRLDDAFYYAIJP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w9q | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6vxs | DB12048 | Savolitinib | XYDNMOZJKOGZLS-NSHDSACASA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB11789 | Hyodeoxycholic Acid | DGABKXLVXPYZII-SIBKNCMHSA-N | PL pro |
| -8.6 | 6m3m | DB12285 | Verubecestat | YHYKUSGACIYRML-KRWDZBQOSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB06370 | Indisulam | SETFNECMODOHTO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxs | DB07966 | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | NVMCVWOODOWOLT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 7bv1 | DB04092 | Apstatin | YVUUZAPYLPWFHE-HXFGRODQSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB12996 | Acteoside | FBSKJMQYURKNSU-ZLSOWSIRSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w9c | DB11773 | BMS-903452 | OGIAVRWXUPYGGC-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB05913 | OSI-930 | FGTCROZDHDSNIO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB00691 | Moexipril | UWWDHYUMIORJTA-HSQYWUDLSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB12325 | Idasanutlin | TVTXCJFHQKSQQM-LJQIRTBHSA-N | nucleocapsid protein |
| -8.6 | 6w9q | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 7bv1 | DB04946 | Iloperidone | XMXHEBAFVSFQEX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9c | DB11816 | Omecamtiv Mecarbil | RFUBTTPMWSKEIW-UHFFFAOYSA-N | PL pro |
| -8.6 | 6lzg | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6cs2 | DB12937 | Quercetin-3'-O-phosphate | UWJBYNLLMAPJMM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB04785 | Streptolydigin | KVTPRMV1KLIG-NCAOFHFGSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB04609 | INHIBITOR Q8467 OF DUPONT MERCK | HFLCERPZYCWLSZ-VKONIRKNSA-N | 3CL pro |
| -8.6 | 6vxs | DB06169 | Indibulin | SOLIIYNRSAWTSQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB11671 | AZD-4877 | SMFXSYMLJDHGIE-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w4h | DB13451 | Tioclomarol | WRGOVNKNTPWHLZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB13166 | Zofenopril | IAIDUHCBNLFXEF-MNEFBYGVSA-N | spike glycoprotein |
| -8.6 | 6w9q | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 7bv1 | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9q | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6m2n | DB01767 | Hemi-Babim | KKJYVDXDZURHMA-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB15092 | LY-2624803 | UEFWDVMEDFCHGW-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9q | DB12101 | CC-220 | IXZOHGPZAQLIBH-NRFANRHFSA-N | nsp9 RNA-replicase |
| -8.6 | 6m3m | DB12262 | CRS-3123 | NNTYBKTXMKBRFA-CQSZACIVSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB12264 | Atevirdine | UCPOMLWZWRTIAA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB08878 | Aminopterin | TVZGACDUOSZQKY-LBPRGKRZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB04825 | Prenylamine | IFFPICMESYHZPQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB11841 | Entinostat | INVTYAOGFAGBOE-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB07747 | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | YTBGBMPLINFTBQ-OAHLLOKOSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB11701 | Amenamevir | MNHNIVNAFBSLLX-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB03957 | SP2456 | SSSXBBASYYVGCI-HSZRJFAPSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB04838 | Cyclandelate | WZHCOOQXZCIUNC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB04590 | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID | PGYOHIAQCFZQDK-AUUYWEPGSA-N | 3CL pro |
| -8.6 | 6w4h | DB13764 | Monoxerutin | MBHXKZDTQCSVPM-BDAFLREQSA-N | nsp16 - nsp10 |
| -8.6 | 6lxt | DB07716 | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL | VDRIXSJOPKVWKM-HXGIDPQASA-N | S2 unit |
| -8.6 | 6m3m | DB07644 | 5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine | IDHINEMSCUFEIP-VIFPVBQESA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9c | DB00224 | Indinavir | CBVCZFGXHXORBI-PXQQMZJSSA-N | PL pro |
| -8.6 | 6w9c | DB00220 | Nelfinavir | QAGYKUNXZHXKMR-HKWSIXNMSA-N | PL pro |
| -8.6 | 6m3m | DB07838 | (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE | ZTWBCEZQPRYIGY-ZROIWOOFSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB04395 | Phosphoaminophosphonic Acid-Adenylate Ester | PVKSNHVPLWYQGJ-FCIPNVEPSA-N | 3CL pro |
| -8.6 | 7bv1 | DB04495 | RU81843 | GGPXNASQNUOIPB-NSOVKSMOSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB00257 | Clotrimazole | VNFPBHJOKIVQEB-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB09053 | Ibrutinib | XYFPWWZEPKGCCK-GOSISDBHSA-N | PL pro |
| -8.6 | 6w9c | DB00240 | Alclometasone | FJXOGVLKCZQRDN-PHCHRAKRSA-N | PL pro |
| -8.6 | 6crv | DB00252 | Phenytoin | CXOFVDLJLONNDW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB04480 | 3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole | NBDZLUOYAAVYHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m3m | DB00716 | Nedocromil | RQTOOFIXOKYGAN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB04509 | N-Methylnaloxonium | PCSQOABIHJXZMR-YNUHATHGSA-O | spike glycoprotein |
| -8.6 | 7bv1 | DB04983 | Denufosol | FPNPSEMJLALQSA-MIYUEGBISA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB15416 | PX-102 | XBUXXJUEBFDQHD-NHCUHLMSSA-N | nsp16 - nsp10 |
| -8.6 | 6cs2 | DB13767 | Vorozole | XLMPPFTZALNBFS-INIZCTEOSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB02128 | [1-(3-Hydroxy-2-Oxo-1-Phenethyl-Propylcarbamoyl)2-Phenyl-Ethyl]-Carbamic Acid Pyridin-4-Ylmethyl Ester | QCUBCTPTNWPFBC-ZEQRLZLVSA-N | 3CL pro |
| -8.6 | 6w4h | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | nsp16 - nsp10 |
| -8.6 | 6w9q | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB12210 | AZD-6280 | NVWCZRPXYVDQEE-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB00246 | Ziprasidone | MVWVFYHBGMAFLY-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB00248 | Cabergoline | KORNTPPJEAJQIU-KJXAQDMKSA-N | PL pro |
| -8.6 | 6w9c | DB12272 | Vidupiprant | PFWVGKROPKKEDW-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB00554 | Piroxicam | QYSPLQLAKJAUJT-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB00323 | Tolcapone | MIQPIUSUKVNLNT-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB00543 | Amoxapine | QWGDMFLQWFTERH-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB08882 | Linagliptin | LTXREWYXXSTFRX-QGZVFWFLSA-N | PL pro |
| -8.6 | 6lxt | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9c | DB08899 | Enzalutamide | WXCXUHSOUPDCQV-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB08906 | Fluticasone furoate | XTULMSXFIHGYFS-VLSRWLAYSA-N | PL pro |
| -8.6 | 6cs2 | DB12877 | Oxatomide | BAINIUMDFURPJM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w9c | DB00434 | Cyproheptadine | JJCFRYNCJDLXIK-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB11962 | GSK-1059615 | QDITZBLZQQZVEE-YBEGLDIGSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB11982 | GDC-0623 | RFWVETIZUQEJEF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB04362 | Adenosine Diphosphate 5-(Beta-Ethyl)-4-Methyl-Thiazole-2-Carboxylic Acid | VGXBGQACJQRWLV-LKGUXBDMSA-K | 3CL pro |
| -8.6 | 6vxs | DB06555 | Siramesine | XWAONOGAGZNUSF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB06395 | Abafungin | TYBHXIFFPVFXQW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB07212 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE | NNGZRCYXFBHMRM-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m3m | DB11985 | Dapaconazole | FUAHXHWSMYFWGE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB07851 | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | DQJXBZGPJVSWFI-ROUUACIJSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB06533 | Ragaglitazar | WMUIIGVAWPWQAW-XMMPIXPASA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB08976 | Floctafenine | APQPGQGAWABJLN-GFCCVEGCSA-N | PL pro |
| -8.6 | 6lzg | DB04477 | N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine | FDZQGEIYGFPMOB-ZUURFMEUSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB00294 | Etonogestrel | GCKFUYQCUCGESZ-BPIQYHPVSA-N | PL pro |
| -8.6 | 6lzg | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB05105 | Pleconaril | KQOXLKOJHVFTRN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB15294 | SB-1578 | NNXDIGHYPZHXTR-ONEGZZNKSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB00214 | Torasemide | NGBFQHCMQULJNZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB00206 | Reserpine | QEVHRUUCFGRFIF-MDEJGZGSSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB07872 | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | IYGIXVNAMZPBDK-CQSZACIVSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB04590 | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID | PGYOHIAQCFZQDK-AUUYWEPGSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB01685 | Topiroxostat | UBVZQGOVTLIHLH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB04696 | 4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN | GFGZCXHXQCQRFP-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lzg | DB01678 | RU84687 | SAFPHFWYRLLBFO-NSOVKSMOSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB05137 | Lobeline | MXYUKLILVYORSK-HBMCJLEFSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB07249 | N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine | QHIMVPIOWKYPSO-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lxt | DB07741 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE | VPNYXOTTXAXSIH-SXYSDOLCSA-N | S2 unit |
| -8.6 | 6w4h | DB15092 | LY-2624803 | UEFWDVMEDFCHGW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w9c | DB09295 | Talniflumate | ANMLJLFWUCQGKZ-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB09378 | Fluprednisolone | MYYIMZRZXIQBGI-HVIRSNARSA-N | PL pro |
| -8.6 | 6w9q | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9q | DB08221 | N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | NESXBRNDMQUVNG-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w4h | DB15062 | Inarigivir | LYMICVBGNUEHGE-FUQPUAIBSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB01641 | (5z)-2-[(1s,2r)-1-Amino-2-Hydroxypropyl]-5-[(4-Amino-1h-Indol-3-Yl)Methylene]-3-(2-Hydroxyethyl)-3,5-Dihydro-4h-Imidazol-4-One | JUWJATLABHTRDF-JURWUIOISA-N | spike glycoprotein |
| -8.6 | 6w4h | DB15035 | Zanubrutinib | RNOAOAWBMHREKO-QFIPXVFZSA-N | nsp16 - nsp10 |
| -8.6 | 6w9c | DB09488 | Acrivastine | PWACSDKDOHSSQD-IUTFFREVSA-N | PL pro |
| -8.6 | 6w9c | DB11184 | Oftasceine | DEGAKNSWVGKMLS-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB15124 | PF-05241328 | RVTSXVZXEGFIPW-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4h | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB15123 | Dorzagliatin | HMUMWSORCUWQJO-QAPCUYQASA-N | 3CL pro |
| -8.6 | 6w4h | DB14879 | Cefiderocol | DBPPRLRVDVJOCL-FQRUVTKNSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB04624 | DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME) | SIHNJMGWRHPFAZ-XHDPSFHLSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w9q | DB07078 | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE | AYSXURJZVXBSRV-WJDWOHSUSA-N | nsp9 RNA-replicase |
| -8.6 | 6m3m | DB06235 | Vadimezan | XGOYIMQSIKSOBS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB15292 | Foliglurax | ZTEDNASHAWNBKQ-NCELDCMTSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB15281 | Ravoxertinib | RZUOCXOYPYGSKL-GOSISDBHSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB13208 | Prednylidene | WSVOMANDJDYYEY-CWNVBEKCSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB12046 | Atopaxar | QWKAUGRRIXBIPO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9q | DB07969 | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | QNCYYRHIUFGGJX-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB09199 | Netoglitazone | PKWDZWYVIHVNKS-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w4h | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6cs2 | DB12895 | TD-139 | YGIDGBAHDZEYMT-MQFIMZJJSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxs | DB11922 | Danirixin | NGYNBSHYFOFVLS-LBPRGKRZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxs | DB08051 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | XXRHRPGYYNOBHO-QGZVFWFLSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB07244 | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE | SRRWXMSVQYQCRX-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4h | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | nsp16 - nsp10 |
| -8.6 | 6w9q | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w4h | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB15238 | Olinciguat | YWQFJNWMWZMXRW-HXUWFJFHSA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB04432 | ZK-805623 | ZXIHYCYAQUQHSG-UHFFFAOYSA-O | 3CL pro |
| -8.6 | 6w9c | DB09231 | Benidipine | QZVNQOLPLYWLHQ-ZEQKJWHPSA-N | PL pro |
| -8.6 | 6m3m | DB00714 | Apomorphine | VMWNQDUVQKEIOC-CYBMUJFWSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB07620 | 2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE | INAZPZCJNPPHGV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB07765 | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE | UKCFUFHREWUXJJ-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m3m | DB12059 | JNJ-40411813 | HYOGJHCDLQSAHX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB11934 | Epelsiban | UWHCWRQFNKUYCG-QUZACWSFSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB09279 | Fimasartan | AMEROGPZOLAFBN-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB07629 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-DLBZAZTESA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB06976 | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA | IWOOJEZSDPRYAZ-WFASDCNBSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB12623 | Taprenepag | MFFBXYNKZHTCEY-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB11560 | Lesinurad | FGQFOYHRJSUHMR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB01219 | Dantrolene | OZOMQRBLCMDCEG-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lzg | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB15317 | Posiphen | PBHFNBQPZCRWQP-AZUAARDMSA-N | PL pro |
| -8.6 | 6m2n | DB06169 | Indibulin | SOLIIYNRSAWTSQ-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB15319 | VM4-037 | QGYZPMXIVNIGKA-GMAHTHKFSA-N | PL pro |
| -8.6 | 6cs2 | DB14716 | Clonazolam | XJRGLCAWBRZUFC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6cs2 | DB13158 | Clobetasone | XXIFVOHLGBURIG-OZCCCYNHSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m3m | DB07187 | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE | FXFPQPNUMWQRAO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB15325 | ONO-8539 | ALLLQQUASFFEKP-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB08239 | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | NKLVBHMAIMEVEH-QFIPXVFZSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB15114 | Vamorolone | ZYTXTXAMMDTYDQ-DGEXFFLYSA-N | PL pro |
| -8.6 | 6w9c | DB06510 | Muraglitazar | IRLWJILLXJGJTD-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB08762 | O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID | UPJNMOBJDSFRTI-FCEWJHQRSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB07716 | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL | VDRIXSJOPKVWKM-HXGIDPQASA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB13240 | Cymarin | XQCGNURMLWFQJR-ZNDDOCHDSA-N | PL pro |
| -8.6 | 6vxs | DB03300 | Pterin Cytosine Dinucleotide | WKSPNQYEWZEMMI-FEFZDOOUSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6lxt | DB12515 | 9-aminocamptothecin | FUXVKZWTXQUGMW-FQEVSTJZSA-N | S2 unit |
| -8.6 | 6vxs | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB15391 | Elenbecestat | AACUJFVOHGRMTR-DPXNYUHVSA-N | PL pro |
| -8.6 | 6w9c | DB07943 | 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol | CATQHDWESBRRQA-UHFFFAOYSA-N | PL pro |
| -8.6 | 7bv1 | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB08097 | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE | OGWSGDLIXOEZJG-UHFFFAOYSA-N | S2 unit |
| -8.6 | 7bv1 | DB14669 | Betamethasone phosphate | VQODGRNSFPNSQE-DVTGEIKXSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB12666 | Emapunil | NBMBIEOUVBHEBM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 7bv1 | DB00220 | Nelfinavir | QAGYKUNXZHXKMR-HKWSIXNMSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9c | DB06684 | Vilazodone | SGEGOXDYSFKCPT-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB14065 | Lomerizine | JQSAYKKFZOSZGJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB02738 | Adenosine-5'-Pentaphosphate | WYJWVZZCMBUPSP-KQYNXXCUSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB08665 | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE | YCFJZPGDTZVVSM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB13312 | Delapril | WOUOLAUOZXOLJQ-MBSDFSHPSA-N | PL pro |
| -8.6 | 6crv | DB15065 | PF-06291874 | IBDYYOQKQCCSDP-QFIPXVFZSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB06077 | Lumateperone | HOIIHACBCFLJET-SFTDATJTSA-N | 3CL pro |
| -8.6 | 6w9c | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | PL pro |
| -8.6 | 6m3m | DB08686 | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE | UXCLJNSXDNCIIT-HNNXBMFYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB08697 | 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide | JDYIYIRPQKMWMM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB14906 | Adafosbuvir | NIJYGVDQZBBONK-SEUXLIJBSA-N | PL pro |
| -8.6 | 6w9c | DB06680 | Asoprisnil | GJMNAFGEUJBOCE-MEQIQULJSA-N | PL pro |
| -8.6 | 6w9c | DB15024 | Apararenone | AZNHWXAFPBYFGH-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB00972 | Azelastine | MBUVEWMHONZEQD-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB06137 | KX-01 | HUNGUWOZPQBXGX-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB07847 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE | ICLOZQFWTRAYPX-LIRRHRJNSA-N | PL pro |
| -8.6 | 6crv | DB02363 | 2'-Monophosphoadenosine-5'-Diphosphate | YPTPYQSAVGGMFN-KQYNXXCUSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB15062 | Inarigivir | LYMICVBGNUEHGE-FUQPUAIBSA-N | PL pro |
| -8.6 | 6m2n | DB06157 | Istaroxime | MPYLDWFDPHRTEG-PAAYLBSLSA-N | 3CL pro |
| -8.6 | 6w9c | DB15065 | PF-06291874 | IBDYYOQKQCCSDP-QFIPXVFZSA-N | PL pro |
| -8.6 | 6lzg | DB07550 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | ZIGSBBKEPNQXRG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB15102 | Pemigatinib | HCDMJFOHIXMBOV-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB02836 | Guanosine 5'-Diphosphate 2':3'-Cyclic Monophosphate | NGYWTCOGOZELRS-UUOKFMHZSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB06886 | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL | MACLRJNEKXUAJK-YDLSIGKMSA-N | PL pro |
| -8.6 | 6lxt | DB12580 | Tradipitant | CAVRKWRKTNINFF-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lxt | DB08096 | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM | ZWKOUFZHPNIQSH-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9c | DB06306 | Onalespib | IFRGXKKQHBVPCQ-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB07136 | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID | WFFOOKSVFDUPDH-FCHUYYIVSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB07131 | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide | DOTBZTLJSXFKCP-IBGZPJMESA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | S2 unit |
| -8.6 | 6crv | DB14122 | Dihydroxymethoxychalcone | NYSZJNUIVUBQMM-BQYQJAHWSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB07337 | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | SOKOHDQTKSROQZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB08213 | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE | PFAYCUAUBOGVDX-AWEZNQCLSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB03476 | Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine | NQRIWXVAIWPBEM-OALUTQOASA-N | 3CL pro |
| -8.6 | 6vxs | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB03086 | N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide | IQMLIGOOOFEBAH-CVEARBPZSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB06077 | Lumateperone | HOIIHACBCFLJET-SFTDATJTSA-N | PL pro |
| -8.6 | 6m3m | DB00497 | Oxycodone | BRUQQQPBMZOVGD-XFKAJCMBSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB06816 | Pyrvinium | QMHSXPLYMTVAMK-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB04816 | Dantron | QBPFLULOKWLNNW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB05039 | Indacaterol | QZZUEBNBZAPZLX-QFIPXVFZSA-N | PL pro |
| -8.6 | 6m2n | DB04092 | Apstatin | YVUUZAPYLPWFHE-HXFGRODQSA-N | 3CL pro |
| -8.6 | 6cs2 | DB13347 | Diphenadione | JYGLAHSAISAEAL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w9c | DB06849 | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine | RQWYWHUKHYFIPB-VQHVLOKHSA-N | PL pro |
| -8.6 | 6w9c | DB06853 | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | BYTJPDBCLWUEBU-IBGZPJMESA-N | PL pro |
| -8.6 | 6m3m | DB04876 | Vildagliptin | SYOKIDBDQMKNDQ-XWTIBIIYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB08915 | Aleglitazar | DAYKLWSKQJBGCS-NRFANRHFSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB12682 | Mubritinib | ZTFBIUXIQYRUNT-MDWZMJQESA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB00814 | Meloxicam | ZRVUJXDFFKFLMG-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB05087 | Ganaxolone | PGTVWKLGGCQMBR-FLBATMFCSA-N | PL pro |
| -8.6 | 6vxs | DB08382 | Gosogliptin | QWEWGXUTRTXFRF-KBPBESRZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB01068 | Clonazepam | DGBIGWXXNGSACT-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB04705 | (3BETA)-CHOLEST-5-ENE-3,25-DIOL | INBGSXNNRGWLJU-ZHHJOTBYSA-N | PL pro |
| -8.6 | 6m3m | DB08810 | Cinitapride | ZDLBNXXKDMLZMF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9c | DB15460 | AGG-523 | JWQMTWCFNZSLNR-DEOSSOPVSA-N | PL pro |
| -8.6 | 6w9c | DB06230 | Nalmefene | WJBLNOPPDWQMCH-MBPVOVBZSA-N | PL pro |
| -8.6 | 6lzg | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB08224 | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL | WWSNTLOVYSRDEL-TVKPWXLESA-N | nucleocapsid protein |
| -8.6 | 6crv | DB01092 | Ouabain | LPMXVESGRSUGHW-HBYQJFLCSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB06194 | Elocalcitol | LRLWXBHFPGSUOX-GJQYOBCGSA-N | PL pro |
| -8.6 | 6vxs | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB06144 | Sertindole | GZKLJWGUPQBVJQ-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB07741 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE | VPNYXOTTXAXSIH-SXYSDOLCSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB06137 | KX-01 | HUNGUWOZPQBXGX-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB13230 | Gestonorone | GTFUITFQDGVJSK-XGXHKTLJSA-N | PL pro |
| -8.6 | 6w9c | DB05676 | Apremilast | IMOZEMNVLZVGJZ-QGZVFWFLSA-N | PL pro |
| -8.6 | 6w9c | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | PL pro |
| -8.6 | 6lxt | DB08079 | AMG-208 | HEAIZQNMNCHNFD-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9q | DB14584 | Segesterone | SFLXYFZGKSGFKA-XUDSTZEESA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB13223 | Fluocortin | PUWHHWCHAVXSIG-NCLPIGKXSA-N | PL pro |
| -8.6 | 6w9c | DB05408 | Emricasan | SCVHJVCATBPIHN-SJCJKPOMSA-N | PL pro |
| -8.6 | 6w9c | DB07966 | [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile | NVMCVWOODOWOLT-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB06306 | Onalespib | IFRGXKKQHBVPCQ-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB00831 | Trifluoperazine | ZEWQUBUPAILYHI-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB13185 | Oxabolone cipionate | KHKDIUPVDIEHAH-KXLSUQFWSA-N | PL pro |
| -8.6 | 6w9c | DB07804 | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE | FKCQUVAGEOSYRU-QWRGUYRKSA-N | PL pro |
| -8.6 | 6cs2 | DB12459 | Belotecan | LNHWXBUNXOXMRL-VWLOTQADSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB13931 | Netarsudil | OURRXQUGYQRVML-AREMUKBSSA-N | PL pro |
| -8.6 | 6w9c | DB13602 | Promegestone | QFFCYTLOTYIJMR-XMGTWHOFSA-N | PL pro |
| -8.6 | 6w9c | DB13941 | Piperaquine | UCRHFBCYFMIWHC-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB07352 | Apigenin | KZNIFHPLKGYRTM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB05575 | Motesanib | RAHBGWKEPAQNFF-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB07312 | 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE | JCXZHFCBNFFHRC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB01228 | Encainide | PJWPNDMDCLXCOM-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB07563 | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine | GCJSOJRPNOWSEH-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | spike glycoprotein |
| -8.6 | 6w9c | DB07549 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | WOYBPRBUPLYTPY-UHFFFAOYSA-P | PL pro |
| -8.6 | 6w9c | DB07252 | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | TZHCXOMEOHEZDX-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB14029 | Furafylline | HMZQULPVMKITSP-UHFFFAOYSA-N | PL pro |
| -8.6 | 6cs2 | DB12598 | Nafamostat | MQQNFDZXWVTQEH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w9c | DB07583 | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE | RLNNFNGBXLTQOB-RBUKOAKNSA-N | PL pro |
| -8.6 | 6m2n | DB05399 | Succinobucol | RKSMVPNZHBRNNS-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lxt | DB12548 | Sparsentan | WRFHGDPIDHPWIQ-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m3m | DB00448 | Lansoprazole | MJIHNNLFOKEZEW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB07215 | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID | ILUPZUOBHCUBKB-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB07212 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE | NNGZRCYXFBHMRM-UHFFFAOYSA-N | PL pro |
| -8.6 | 6lxt | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6vxs | DB04514 | Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester | DFYLLEBFVZTKHD-VMIOUTBZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6lzg | DB07307 | N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | GQXMJOSCBRZMKE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6lzg | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 7bv1 | DB15029 | AZD-8186 | LMJFJIDLEAWOQJ-CQSZACIVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB08362 | N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | QVKXQLGRDOMAGC-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m3m | DB07338 | Acifluorfen | NUFNQYOELLVIPL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB07204 | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE | DQIXTEDFNFZMCM-SFHVURJKSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB00919 | Spectinomycin | UNFWWIHTNXNPBV-WXKVUWSESA-N | nucleocapsid protein |
| -8.6 | 6crv | DB14875 | AZD-4017 | NCDZABJPWMBMIQ-INIZCTEOSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB07441 | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID | FRBAOMHMZCGBOJ-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB08471 | 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine | SJEVDMFUHCVNPM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB01337 | Pancuronium | GVEAYVLWDAFXET-XGHATYIMSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lzg | DB07215 | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID | ILUPZUOBHCUBKB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB03921 | 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline | IBCXZJCWDGCXQT-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6crv | DB02545 | Fexaramine | VLQTUNDJHLEFEQ-KGENOOAVSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB07394 | AUROVERTIN B | QXCOFYWOWZJFEA-YJMRODJJSA-N | PL pro |
| -8.6 | 6w9q | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB07493 | (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE | IEQQJQHHJMQETK-YPKPFQOOSA-N | PL pro |
| -8.6 | 6m2n | DB05498 | KW-7158 | NAFSYPCVPLWHFY-HNNXBMFYSA-N | 3CL pro |
| -8.6 | 6w9c | DB13867 | Fluticasone | MGNNYOODZCAHBA-GQKYHHCASA-N | PL pro |
| -8.6 | 6w9c | DB07337 | 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE | SOKOHDQTKSROQZ-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB15038 | Litoxetine | MJJDYOLPMGIWND-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB05416 | Cardarine | YDBLKRPLXZNVNB-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6crv | DB02595 | Bulgecin A | RPNZWZDLNYCCIG-HMMVDTEZSA-O | spike glycoprotein |
| -8.6 | 6vxs | DB07675 | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID | WMUIIGVAWPWQAW-DEOSSOPVSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB00434 | Cyproheptadine | JJCFRYNCJDLXIK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB00921 | Buprenorphine | RMRJXGBAOAMLHD-IHFGGWKQSA-N | 3CL pro |
| -8.6 | 6w9c | DB07203 | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE | OUEGMEMDEAOAEG-UHFFFAOYSA-N | PL pro |
| -8.6 | 6lxt | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9c | DB07199 | (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID | SWYJAQWTBADJTB-RHGYRFJNSA-N | PL pro |
| -8.6 | 6m3m | DB08537 | 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine | LZLKFNBMXXLTLX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB13586 | Metandienone | XWALNWXLMVGSFR-HLXURNFRSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB07698 | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine | JDNMRPIWJIDDAY-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB02421 | Uridine-5'-Diphosphate-Mannose | HSCJRCZFDFQWRP-NYYOCOOHSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB04509 | N-Methylnaloxonium | PCSQOABIHJXZMR-YNUHATHGSA-O | nucleocapsid protein |
| -8.6 | 6lxt | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m3m | DB07246 | (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE | MKRPIBSCGZAUCH-OAHLLOKOSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB00947 | Fulvestrant | VWUXBMIQPBEWFH-WCCTWKNTSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB14054 | Asiatic acid | JXSVIVRDWWRQRT-UYDOISQJSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB14677 | Gestonorone caproate | XURCMZMFZXXQDJ-UKNJCJGYSA-N | PL pro |
| -8.6 | 6m3m | DB07418 | bis(4-nitrophenyl) hydrogen phosphate | MHSVUSZEHNVFKW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6cs2 | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w9c | DB07756 | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL | GPBGHVRNVGXPNM-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB08429 | N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | QRGBOABBMKYMLG-UXHICEINSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxs | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB07764 | FLUORESCIN | MURGITYSBWUQTI-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB02755 | 1-3 Sugar Ring of Pentamannosyl 6-Phosphate | HDQMHAJOIVYOIP-NAVBLJQLSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB07479 | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL | WCUHTHVUZQCBTI-KBAYOESNSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxs | DB08424 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | IJDQETGUEUJVTB-HNNXBMFYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB03678 | (6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine | WVGZKPGUHOZIJQ-HNNXBMFYSA-N | 3CL pro |
| -8.6 | 6m3m | DB08340 | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE | LLYYAUZAGCZEKV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB02059 | Adenosine-5-Diphosphoribose | SRNWOUGRCWSEMX-ZQSHOCFMSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB08596 | 5'-deoxy-5'-piperidin-1-ylthymidine | GMOUOGHZJCSNOZ-YNEHKIRRSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB07078 | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE | AYSXURJZVXBSRV-WJDWOHSUSA-N | PL pro |
| -8.6 | 6m2n | DB03725 | Phosphomethylphosphonic Acid-Guanylate Ester | PHBDHXOBFUBCJD-KQYNXXCUSA-N | 3CL pro |
| -8.6 | 6m2n | DB00920 | Ketotifen | ZCVMWBYGMWKGHF-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m3m | DB08542 | 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione | YUHVBHDSVLKFNI-NJSLBKSFSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6lxt | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9c | DB14128 | Nadide | BAWFJGJZGIEFAR-NNYOXOHSSA-N | PL pro |
| -8.6 | 6m3m | DB07277 | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE | IAUZEBLXCOCAFL-JSGCOSHPSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | YBKLJTXDSBEVRV-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB12507 | Atecegatran metoxil | XSNMGLZVFNDDPW-ZWKOTPCHSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m3m | DB08422 | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE | GEIDRYBJURDUSW-MOPGFXCFSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB02877 | Arotinoid acid | FOIVPCKZDPCJJY-JQIJEIRASA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB07271 | 4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one | RMDAPSXWBVPVOG-IAPIXIRKSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB07382 | N-2-1H-benzimidazol-5-yl-N-4-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | WJNBSTLIALIIEW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB03777 | Rbt205 Inhibitor | QMGUOJYZJKLOLH-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m3m | DB04554 | 8-Bromoadenosine-5'-Diphosphate | KVVVTFSHHQCHNZ-UUOKFMHZSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB05772 | Rabeximod | PDNNUMNEXITLCZ-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB14583 | Segesterone acetate | CKFBRGLGTWAVLG-GOMYTPFNSA-N | PL pro |
| -8.6 | 6w9c | DB13425 | Flutrimazole | QHMWCHQXCUNUAK-UHFFFAOYSA-N | PL pro |
| -8.6 | 6cs2 | DB12622 | Lupeol | MQYXUWHLBZFQQO-QGTGJCAVSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | 3CL pro |
| -8.6 | 6m3m | DB00468 | Quinine | LOUPRKONTZGTKE-WZBLMQSHSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB07065 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine | AHPKUZJCNHGFQA-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w9c | DB07688 | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | RPJIMTALCNCQLV-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB14641 | Estriol tripropionate | ONMZMZJEZHMWQL-REUUDLSRSA-N | PL pro |
| -8.6 | 6lxt | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m2n | DB01179 | Podofilox | YJGVMLPVUAXIQN-XVVDYKMHSA-N | 3CL pro |
| -8.6 | 6crv | DB02307 | N-(1-Carboxy-3-Phenylpropyl)Phenylalanyl-Alpha-Asparagine | FOJUHLDAXGNCIP-FHWLQOOXSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB04610 | 7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin | XMFJTCGUDFSWSW-INIZCTEOSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB15282 | Fluorofuranylnorprogesterone F-18 | VJKRBRUNEOHPBS-JQKUZGBFSA-N | 3CL pro |
| -8.6 | 6w9c | DB03397 | Uridine-Diphosphate-N-Acetylglucosamine | LFTYTUAZOPRMMI-CFRASDGPSA-N | PL pro |
| -8.6 | 6crv | DB13411 | Lofepramine | SAPNXPWPAUFAJU-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | PL pro |
| -8.6 | 7bv1 | DB08274 | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE | YKJXQZGJGDTEOC-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9q | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB08341 | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide | CAUFYHKGKDJMQG-HZPDHXFCSA-N | PL pro |
| -8.6 | 6vxs | DB03480 | Brequinar Analog | WYKKHJQZENLZID-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB09279 | Fimasartan | AMEROGPZOLAFBN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB03355 | 5'-O-(N-(L-Threonyl)-Sulfamoyl)Adenosine | UPVAPSGKXAAHBG-CKTDUXNWSA-N | PL pro |
| -8.6 | 6m2n | DB02929 | K201 | KCWGETCFOVJEPI-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lxt | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | S2 unit |
| -8.6 | 6w9c | DB03251 | RWJ-51084 | NQABUEUFRXDDFI-AWEZNQCLSA-N | PL pro |
| -8.6 | 6m2n | DB01185 | Fluoxymesterone | YLRFCQOZQXIBAB-RBZZARIASA-N | 3CL pro |
| -8.6 | 7bv1 | DB08239 | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | NKLVBHMAIMEVEH-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9c | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB01013 | Clobetasol propionate | CBGUOGMQLZIXBE-XGQKBEPLSA-N | 3CL pro |
| -8.6 | 6vxs | DB07054 | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | OSCWQKTUILTARV-MRXNPFEDSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB03647 | 3-[Isopropyl(4-Methylbenzoyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid | LRHXIDOGMBZJFN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB08358 | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | OWFLADWRSCINST-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6vxs | DB08239 | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | NKLVBHMAIMEVEH-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB08365 | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide | XUAHLMVOYLUYSB-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB00823 | Ethynodiol diacetate | ONKUMRGIYFNPJW-KIEAKMPYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB06858 | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | MMLOIDMSBRJZAE-FQEVSTJZSA-N | 3CL pro |
| -8.6 | 6m3m | DB00365 | Grepafloxacin | AIJTTZAVMXIJGM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB12732 | Firategrast | YLFZHHDVRSYTKT-NRFANRHFSA-N | PL pro |
| -8.6 | 6m3m | DB04649 | TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S | MVFPGTZTOAHVBP-HXYLPHSESA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB09235 | Efonidipine | NSVFSAJIGAJDMR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 7bv1 | DB00773 | Etoposide | VJJPUSNTGOMMGY-MRVIYFEKSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB03490 | 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole | NHOACLCXCKJMAK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9q | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB03701 | Vanoxerine | NAUWTFJOPJWYOT-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB00751 | Epinastine | WHWZLSFABNNENI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB09198 | Lobeglitazone | CHHXEZSCHQVSRE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB03501 | Galactose-uridine-5'-diphosphate | HSCJRCZFDFQWRP-ABVWGUQPSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB03619 | Deoxycholic Acid | KXGVEGMKQFWNSR-LLQZFEROSA-N | PL pro |
| -8.6 | 6m2n | DB03038 | LY341770 | MXAFDBCLWLMXSI-ZDUSSCGKSA-N | 3CL pro |
| -8.6 | 7bv1 | DB15132 | AZD-8165 | YUHNXUAATAMVKD-PZJWPPBQSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9q | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9q | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6m2n | DB03010 | Patupilone | QXRSDHAAWVKZLJ-PVYNADRNSA-N | 3CL pro |
| -8.6 | 6w9c | DB12696 | BMS-582949 | GDTQLZHHDRRBEB-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB00876 | Eprosartan | OROAFUQRIXKEMV-LDADJPATSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB01392 | Yohimbine | BLGXFZZNTVWLAY-SCYLSFHTSA-N | 3CL pro |
| -8.6 | 6w9c | DB03490 | 3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole | NHOACLCXCKJMAK-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9q | DB01419 | Antrafenine | NWGGKKGAFZIVBJ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6lzg | DB08361 | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide | NZNTWOVDIXCHHS-LSDHHAIUSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6crv | DB01548 | Diprenorphine | OIJXLIIMXHRJJH-KNLIIKEYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB11796 | Fostemsavir | SWMDAPWAQQTBOG-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9c | DB02466 | 4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid | ZXQHMEUGMCXKLO-KPKJPENVSA-N | PL pro |
| -8.6 | 6lzg | DB08470 | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole | KMGPJKOKSYGMJD-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB04678 | H TYPE II TRISACCHARIDE | PHTAQVMXYWFMHF-QVPNGJTFSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB11455 | Robenacoxib | ZEXGDYFACFXQPF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB06930 | N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide | WVLDNAVUCUAGDP-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | PL pro |
| -8.6 | 6m3m | DB11463 | Sulfanitran | GWBPFRGXNGPPMF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB14626 | Pregnenolone acetate | CRRKVZVYZQXICQ-RJJCNJEVSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB02799 | N-[2-(1-Maleimidyl)Ethyl]-7-Diethylaminocoumarin-3-Carboxamide | OJBZDUMTXGGVSP-KTKRTIGZSA-N | 3CL pro |
| -8.6 | 6w9c | DB02331 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | YBULOUKTPCHXAL-DEOSSOPVSA-N | PL pro |
| -8.6 | 6crv | DB01557 | ??-Methylfentanyl | NGTVDHYUFBKWID-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9q | DB13005 | Rebastinib | WVXNSAVVKYZVOE-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6m3m | DB11511 | Difloxacin | NOCJXYPHIIZEHN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB03753 | Flurbiprofen Methyl Ester | CPJBKHZROFMSQM-NSHDSACASA-N | spike glycoprotein |
| -8.6 | 6lxt | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9c | DB12574 | LY-295501 | VAMFSFIPDOODFH-UHFFFAOYSA-N | PL pro |
| -8.6 | 6vxs | DB04872 | Osanetant | DZOJBGLFWINFBF-UMSFTDKQSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB06794 | Lodoxamide | RVGLGHVJXCETIO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB15192 | ABT-288 | GNIRITULTPTAQW-KNQAVFIVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB04196 | Pteroic Acid | JOAQINSXLLMRCV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB08460 | 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile | KXDIHAQCVNNLIB-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9q | DB12875 | Mavatrep | ORDHXXHTBUZRCN-NTEUORMPSA-N | nsp9 RNA-replicase |
| -8.6 | 6m2n | DB02790 | Phenyl-Uridine-5'-Diphosphate | ZHUWBKDWWGKIEN-FMKGYKFTSA-N | 3CL pro |
| -8.6 | 6w9c | DB02510 | '5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine | LKVJEMXWEODCAY-JVEUSOJLSA-N | PL pro |
| -8.6 | 6w9q | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6crv | DB00751 | Epinastine | WHWZLSFABNNENI-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB02932 | (R)-Bicalutamide | LKJPYSCBVHEWIU-KRWDZBQOSA-N | PL pro |
| -8.6 | 6crv | DB15124 | PF-05241328 | RVTSXVZXEGFIPW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB07809 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | MBJYEMUMDMGQQC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB06875 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | NSSOSHDCWCMNDM-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxs | DB07053 | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | TWVYNPULGKGJOS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB02889 | 4-O-(4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Beta-D-Lyxo-Hexopyranosyl)-Alpha-D-Erythro-Hexopyranose | SNMISNLUIRCRQE-SFSRYZOZSA-N | PL pro |
| -8.6 | 6m3m | DB08080 | LATRUNCULIN B | NSHPHXHGRHSMIK-JRIKCGFMSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB11450 | Pimobendan | GLBJJMFZWDBELO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB04226 | Dihydro-Acarbose | CUAQESWNTOXZJZ-RTNAABQMSA-N | 3CL pro |
| -8.6 | 6m2n | DB04946 | Iloperidone | XMXHEBAFVSFQEX-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 7bv1 | DB05470 | VX-702 | FYSRKRZDBHOFAY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB04226 | Dihydro-Acarbose | CUAQESWNTOXZJZ-RTNAABQMSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6vxs | DB11521 | Imidocarb | SCEVFJUWLLRELN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6lzg | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB00353 | Methylergometrine | UNBRKDKAWYKMIV-QWQRMKEZSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB00799 | Tazarotene | OGQICQVSFDPSEI-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB08446 | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile | OHQMEDBYNUAVNE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6cs2 | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w9q | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6w9c | DB12637 | Onapristone | IEXUMDBQLIVNHZ-YOUGDJEHSA-N | PL pro |
| -8.6 | 6w9c | DB08400 | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | KUEKMTNOUPAOBS-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB06909 | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | QZGJNFBMYYEFGM-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6crv | DB15117 | Transfluthrin | DDVNRFNDOPPVQJ-HQJQHLMTSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB14068 | Dexniguldipine | SVJMLYUFVDMUHP-MGBGTMOVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB07138 | Neflamapimod | VEPKQEUBKLEPRA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6lxt | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m3m | DB00370 | Mirtazapine | RONZAEMNMFQXRA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB12479 | Zabofloxacin | ZNPOCLHDJCAZAH-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB12483 | Copanlisib | PZBCKZWLPGJMAO-UHFFFAOYSA-N | PL pro |
| -8.6 | 6w9c | DB12949 | PF-03382792 | AGMOFKKOVMRGAK-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB04806 | (5-BROMO-4-CHLORO-3-INDOLYL)-A-D-MANNOSE | OPIFSICVWOWJMJ-HAAGFXOZSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB08051 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | XXRHRPGYYNOBHO-QGZVFWFLSA-N | PL pro |
| -8.6 | 6m3m | DB08159 | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE | AHIJTWCJGCWHMT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB09017 | Brotizolam | UMSGKTJDUHERQW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB00990 | Exemestane | BFYIZQONLCFLEV-DAELLWKTSA-N | spike glycoprotein |
| -8.6 | 6crv | DB01009 | Ketoprofen | DKYWVDODHFEZIM-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB04270 | (S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid | WUZIMDSVRIBNNI-DEOSSOPVSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB09020 | Bisacodyl | KHOITXIGCFIULA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB04405 | 2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid | AQYSXARQCHHHLK-NRFANRHFSA-N | PL pro |
| -8.6 | 6m3m | DB00890 | Dienestrol | NFDFQCUYFHCNBW-SCGPFSFSSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB00885 | Pemirolast | HIANJWSAHKJQTH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB13051 | CH-5132799 | JEGHXKRHKHPBJD-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m2n | DB06578 | Tonabersat | XLIIRNOPGJTBJD-ROUUACIJSA-N | 3CL pro |
| -8.6 | 6w9c | DB08087 | 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE | NHBIWLQQJPSMNP-CABCVRRESA-N | PL pro |
| -8.6 | 6w9c | DB13060 | CEP-37440 | BCSHRERPHLTPEE-NRFANRHFSA-N | PL pro |
| -8.6 | 6m3m | DB07030 | (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID | VABIMMIJVWNHFI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB04362 | Adenosine Diphosphate 5-(Beta-Ethyl)-4-Methyl-Thiazole-2-Carboxylic Acid | VGXBGQACJQRWLV-LKGUXBDMSA-K | PL pro |
| -8.6 | 6vxs | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxs | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB12441 | Tavilermide | DVJXNXPFYJIACK-ULQDDVLXSA-N | PL pro |
| -8.6 | 6w9c | DB04578 | (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | OEVYDSSAPNIURZ-AEFFLSMTSA-N | PL pro |
| -8.6 | 6w9c | DB04853 | Binodenoson | XJFMHMFFBSOEPR-DNZQAUTHSA-N | PL pro |
| -8.6 | 6m3m | DB08934 | Sofosbuvir | TTZHDVOVKQGIBA-IQWMDFIBSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB09038 | Empagliflozin | OBWASQILIWPZMG-QZMOQZSNSA-N | S2 unit |
| -8.6 | 6lxt | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | S2 unit |
| -8.6 | 6w9c | DB07991 | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | APLJSSOXDWUNGV-GOSISDBHSA-N | PL pro |
| -8.6 | 6w9c | DB13135 | AGN-201904 | PPCGSVWOZKNPCX-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB00524 | Metolazone | AQCHWTWZEMGIFD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB11950 | Teneligliptin | WGRQANOPCQRCME-PMACEKPBSA-N | PL pro |
| -8.6 | 6m3m | DB07091 | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide | IWPMQJKXKKKSEY-SFHVURJKSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB08962 | Glibornuride | RMTYNAPTNBJHQI-LLDVTBCESA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB13132 | Artemisinin | BLUAFEHZUWYNDE-NNWCWBAJSA-N | PL pro |
| -8.6 | 6m3m | DB04812 | Benoxaprofen | MITFXPHMIHQXPI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB03221 | AL7099A | RMOXCYSVWCHXII-GFCCVEGCSA-N | spike glycoprotein |
| -8.6 | 6crv | DB01481 | 1-Testosterone | OKJCFMUGMSVJBG-ABEVXSGRSA-N | spike glycoprotein |
| -8.6 | 6crv | DB03222 | dATP | SUYVUBYJARFZHO-RRKCRQDMSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB07085 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | LBMZLHCAPBBOFS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB00813 | Fentanyl | PJMPHNIQZUBGLI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB13487 | Iodine (131I) norcholesterol | QJHZPCLORSPENH-DRTKWHMQSA-N | spike glycoprotein |
| -8.6 | 6w9c | DB12002 | AZD-4818 | HVTUHSABWJPWNK-SFHVURJKSA-N | PL pro |
| -8.6 | 6w9c | DB12972 | Sepranolone | AURFZBICLPNKBZ-FZCSVUEKSA-N | PL pro |
| -8.6 | 6w9c | DB12021 | Dinaciclib | PIMQWRZWLQKKBJ-SFHVURJKSA-N | PL pro |
| -8.6 | 6m2n | DB03355 | 5'-O-(N-(L-Threonyl)-Sulfamoyl)Adenosine | UPVAPSGKXAAHBG-CKTDUXNWSA-N | 3CL pro |
| -8.6 | 7bv1 | DB14828 | ABX-464 | OZOGDCZJYVSUBR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB03154 | {[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid | VHKBLEYUHBIBNR-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB09038 | Empagliflozin | OBWASQILIWPZMG-QZMOQZSNSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB11773 | BMS-903452 | OGIAVRWXUPYGGC-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w9q | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.6 | 6vxs | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 7bv1 | DB04578 | (S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | OEVYDSSAPNIURZ-AEFFLSMTSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9c | DB12746 | AKN-028 | JLRIJKVMMZEKDF-UHFFFAOYSA-N | PL pro |
| -8.6 | 6cs2 | DB12731 | Daporinad | KPBNHDGDUADAGP-VAWYXSNFSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB03449 | N-(4-(2-((3-Chlorophenylmethyl)Amino)Ethyl)Phenyl)-2-Thiophecarboxamidine | ZZVGLDBDD1AB-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB03460 | Violaxanthin | SZCBXWMUOPQSOX-WVJDLNGLSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB08122 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | IKASAFLVQIJQOK-UVTDQMKNSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB09198 | Lobeglitazone | CHHXEZSCHQVSRE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB04794 | Bifonazole | OCAPBUJLXMYKEJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB09174 | Lofentanil | IMYHGORQCPYVBZ-NLFFAJNJSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB12744 | CGI-1842 | ZXBFYBLSJMEBEP-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB09181 | Trefentanil | RJSCINHYBGMIFT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9q | DB00696 | Ergotamine | XCGSFFUVFURLIX-VFGNJEKYSA-N | nsp9 RNA-replicase |
| -8.6 | 6m3m | DB09182 | Benzylfentanyl | POQDXIFVWVZVML-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB07485 | 4,4'-cyclohexane-1,1-diyldiphenol | SDDLEVPIDBLVHC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB07144 | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | XZXVRKHUCSXVBM-AWEZNQCLSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w9c | DB03751 | 2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose | YSYKRGRSMLTJNL-URARBOGNSA-N | PL pro |
| -8.6 | 6lxt | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | S2 unit |
| -8.6 | 6m3m | DB06970 | 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE | MZCDQILVXXIMEV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB12740 | CC-115 | GMYLVKUGJMYTFB-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB09177 | p-Fluorofentanyl | KXUBAVLIJFTASZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6crv | DB00956 | Hydrocodone | LLPOLZWFYMWNKH-CMKMFDCUSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB09097 | Quinagolide | GDFGTRDCCWFXTG-ZIFCJYIRSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | PL pro |
| -8.6 | 6vxs | DB09070 | Tibolone | WZDGZWOAQTVYBX-XOINTXKNSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB15333 | AZD-1386 | FPGNKXCEPARJDI-ZDUSSCGKSA-N | 3CL pro |
| -8.6 | 6m2n | DB06597 | Estradiol sulfamate | YXYXCSOJKUAPJI-ZBRFXRBCSA-N | 3CL pro |
| -8.6 | 6m2n | DB04137 | Guanosine-5'-Triphosphate | XKMLYUALXHKNFT-UUOKFMHZSA-N | 3CL pro |
| -8.6 | 6w9c | DB08142 | AT-7519 | OVPNQJVDAFNBDN-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB09054 | Idelalisib | IFSDAJWBUCMOAH-HNNXBMFYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB00967 | Desloratadine | JAUOIFJMECXRGI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB08143 | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE | SXIYSYYSKHUTQQ-RDJZCZTQSA-N | PL pro |
| -8.6 | 6w9c | DB04144 | Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone | ZXIPEZDMQNYFOO-WUFINQPMSA-N | PL pro |
| -8.6 | 6m2n | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | 3CL pro |
| -8.6 | 6m3m | DB04642 | 7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID | XQTOWNDCHQJXOQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB04121 | Guanosine-3'-Monophosphate-5'-Diphosphate | HEYSFDAMRDTCJM-UUOKFMHZSA-N | PL pro |
| -8.6 | 6m2n | DB05016 | Ataluren | OOUGLTULBSNHNF-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 7bv1 | DB15078 | Rogaratinib | HNLRRJSKGXOYNO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB04903 | Pagoclone | HIUPRQPBWVEQJJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w9c | DB04092 | Apstatin | YVUUZAPYLPWFHE-HXFGRODQSA-N | PL pro |
| -8.6 | 6w9c | DB15209 | MK-0736 | ORQZQBUNAMJFCY-UHFFFAOYSA-N | PL pro |
| -8.6 | 6m3m | DB07470 | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | DOMYOVZXZIZTRD-QGZVFWFLSA-N | nucleocapsid protein |
| -8.6 | 6w9c | DB15229 | CNV-2197944 | BLFJGFDZMABYMY-ZDUSSCGKSA-N | PL pro |
| -8.6 | 6m2n | DB00737 | Meclizine | OCJYIGYOJCODJL-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB03205 | Pyrroloquinoline Quinone | MMXZSJMASHPLLR-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w9c | DB15242 | MK-0533 | STWITCBWQHTJFJ-XMMPIXPASA-N | PL pro |
| -8.6 | 6w9c | DB13088 | AZD-0424 | MVWATCATLSSVBH-UHFFFAOYSA-N | PL pro |
| -8.6 | 6crv | DB14934 | GDC-0927 | KJAAPZIFCQQQKX-NDEPHWFRSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxx | DB12792 | Boscalid | WYEMLYFITZORAB-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB13347 | Diphenadione | JYGLAHSAISAEAL-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB00266 | Dicoumarol | DOBMPNYZJYQDGZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB00298 | Dapiprazole | RFWZESUMWJKKRN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | S2 unit |
| -8.6 | 6m2n | DB11645 | PF-4191834 | DVNQWYLVSNPCJZ-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxx | DB00317 | Gefitinib | XGALLCVXEZPNRQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB00318 | Codeine | OROGSEYTTFOCAN-DNJOTXNNSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB03460 | Violaxanthin | SZCBXWMUOPQSOX-WVJDLNGLSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB00323 | Tolcapone | MIQPIUSUKVNLNT-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB00340 | Metixene | MJFJKKXQDNNUJF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB02008 | 1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine | JHSHXKJSPVHPCJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m3m | DB01166 | Cilostazol | RRGUKTPIGVIEKM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB13212 | Phenolsulfonphthalein | BELBBZDIHDAJOR-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB12480 | Betulinic Acid | QGJZLNKBHJESQX-FZFNOLFKSA-N | 3CL pro |
| -8.6 | 6vxx | DB13136 | Fluindione | NASXCEITKQITLD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB13102 | AZD-8418 | MCPBSUCAISQZQK-JTQLQIEISA-N | spike glycoprotein |
| -8.6 | 6vxx | DB13094 | Pruvanserin | AQRLDDAFYYAIJP-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB08388 | 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE | XRSYNYGEEYTXJV-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB08459 | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | SVMHTBVIPYVDIL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB14899 | Tavapadon | AKQXQLUNFKDZBN-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m3m | DB01172 | Kanamycin | SBUJHOSQTJFQJX-NOAMYHISSA-N | nucleocapsid protein |
| -8.6 | 6m71 | DB03638 | Cytidyl-2'-5'-Phospho-Guanosine | QZDUXDLOEVJGDG-VMIOUTBZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB11670 | SP-8203 | SJZBPVOSFYUHFV-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lxt | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6crv | DB11679 | Fruquintinib | BALLNEJQLSTPIO-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12804 | Daniquidone | SRIOCKJKFXAKHK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB11679 | Fruquintinib | BALLNEJQLSTPIO-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6cs2 | DB15108 | Tipranavir C-14 | SUJUHGSWHZTSEU-MWQIXQBFSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB13360 | Tolciclate | CANCCLAKQQHLNK-LSDHHAIUSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB13393 | Emetine | AUVVAXYIELKVAI-CKBKHPSWSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB13407 | Nifenazone | BRZANEXCSZCZCI-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB11511 | Difloxacin | NOCJXYPHIIZEHN-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m71 | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB13950 | WIN 55212-2 | HQVHOQAKMCMIIM-HXUWFJFHSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB13563 | Norgestrienone | GVDMJXQHPUYPHP-FYQPLNBISA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB13857 | Demegestone | JWAHBTQSSMYISL-MHTWAQMVSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB13856 | Fluclorolone | VTWKPILBIUBMDS-OTJLYDAYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB08073 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | YWTBGJGMTBHQTM-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB00836 | Loperamide | RDOIQAHITMMDAJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08302 | 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid | IRHZCQDCMUWUKV-RAXLEYEMSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB02976 | Uridine-5'-monophosphate 2-deoxy-2-fluoro-galactopyranosyl-monophosphate ester | NGTCPFGWXMBZEP-KBQKSTHMSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB00223 | Diflorasone | WXURHACBFYSXBI-XHIJKXOTSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB05408 | Emricasan | SCVHJVCATBPIHN-SJCJKPOMSA-N | S2 unit |
| -8.6 | 6vxx | DB00844 | Nalbuphine | NETZHAKZCGBWSS-CEDHKZHLSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB05327 | Ranirestat | QCVNMNYRNIMDKV-QGZVFWFLSA-N | S2 unit |
| -8.6 | 6m71 | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB13607 | Picloxydine | YNCLPFSAZFGQCD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB01557 | alpha-Methylfentanyl | NGTVDHYUFBKWID-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB11592 | Nitrocefin | LHNIIDJCEODSHA-OQRUQETBSA-N | 3CL pro |
| -8.6 | 6vxx | DB13682 | Cefpirome | DKOQGJHPHLTOJR-WHRDSVKCSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB13665 | Fluanisone | IRYFCWPNDIUQOW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m3m | DB01149 | Nefazodone | VRBKIVRKKCLPHA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m71 | DB03268 | RU82197 | WKTQBTSOHBKBRW-VMPREFPWSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB03300 | Pterin Cytosine Dinucleotide | WKSPNQYEWZEMMI-FEFZDOOUSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB13425 | Flutrimazole | QHMWCHQXCUNUAK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB00158 | Folic acid | OVBPIULPVIDEAO-LBPRGKRZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB04849 | Cediranib | XXJWYDDUDKYVKI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB11675 | Mosapride | YPELFRMCRYSPKZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB11687 | E-6201 | MWUFVYLAWAXDHQ-HMNLTAHHSA-N | 3CL pro |
| -8.6 | 6vxx | DB12124 | Namitecan | IBTISPLPBBHVSU-UVOOVGFISA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12120 | Avoralstat | TUWMKPVJGGWGNL-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB04750 | OREGON GREEN 488 CARBOXYLATE | BRJCLSQFZSHLRL-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6crv | DB11629 | Laropiprant | NXFFJDQHYLNEJK-CYBMUJFWSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB00673 | Aprepitant | ATALOFNDEOCMKK-OITMNORJSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB00678 | Losartan | PSIFNNKUMBGKDQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB01357 | Mestranol | IMSSROKUHAOUJS-MJCUULBUSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB00704 | Naltrexone | DQCKKXVULJGBQN-XFWGSAIBSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB01380 | Cortisone acetate | ITRJWOMZKQRYTA-RFZYENFJSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | S2 unit |
| -8.6 | 6lxt | DB01893 | N6-Benzyl Adenosine-5'-Diphosphate | MRHGMAGSDAQUFH-LSCFUAHRSA-N | S2 unit |
| -8.6 | 6m2n | DB12428 | PAC-14028 | UKGJZDSUJSPAJL-YPUOHESYSA-N | 3CL pro |
| -8.6 | 6vxx | DB12049 | Dasolampanel etibutil | HPBRMCFZIGUGTK-ZMMAXQRCSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 7bv1 | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB12027 | Serdemetan | CEGSUK1LWKJP-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB01392 | Yohimbine | BLGXFZZNTVWLAY-SCYLSFHTSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB08350 | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE | GYQRHHQPEMOLKH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB00737 | Meclizine | OCJYIGYOJCODJL-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB11811 | Arhalofenate | BJBCSGQLZQGGIQ-QGZVFWFLSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB11765 | PF-04991532 | GKMLFBRLRVQVJO-ZDUSSCGKSA-N | 3CL pro |
| -8.6 | 7bv1 | DB11704 | Adomeglivant | FASLTMSUPQDLIB-MHZLTWQESA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB11805 | Saracatinib | OUKYUETWWIPKQR-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB13788 | Chlorbenzoxamine | VEVSKUJZSMGTMM-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6crv | DB11633 | Isavuconazole | DDFOUSQFMYRUQK-RCDICMHDSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12183 | Sapitinib | DFJSJLGUIXFDJP-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB08383 | 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole | XBMULXNXJLWLLD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB12211 | PSI-697 | DIEPFYNZGUUVHD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB12241 | TAK-733 | RCLQNICOARASSR-SECBINFHSA-N | spike glycoprotein |
| -8.6 | 6crv | DB12242 | AZD-7762 | IAYGCINLNONXHY-LBPRGKRZSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB11966 | BMS-986094 | YFXGICNMLCGLHJ-RSKRLRQZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB11965 | SJG-136 | RWZVMMQNDHPRQD-SFTDATJTSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB03878 | N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide | YWQVBESSYLICRX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB02684 | 5'-O-(N-(L-Cysteinyl)-Sulfamoyl)Adenosine | FTSDEWPMACCNGN-YTMOPEAISA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB04882 | Edotecarin | QMVPQBFHUJZJCS-NTKFZFFISA-N | S2 unit |
| -8.6 | 6m2n | DB11692 | Pavinetant | QYTBBBAHNIWFOD-NRFANRHFSA-N | 3CL pro |
| -8.6 | 6cs2 | DB04792 | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | CDEVHSIVANGYRI-XMTFNYHQSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB12590 | Indiplon | CBIAWPMZSFFRGN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB08423 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | QKZZJXRGCHXIAI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6cs2 | DB08418 | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate | LSJKARAMQNGZDF-YOEKFXIASA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB13865 | Dehydroemetine | XXLZPUYGHQWHRN-RPBOFIJWSA-N | 3CL pro |
| -8.6 | 7bv1 | DB12068 | T-900607 | FSXLOWIFSZNIMV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB02241 | 8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | HOSWCJDTHOAORT-SANMLTNESA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB01260 | Desonide | WBGKWQHBNHJJPZ-LECWWXJVSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB07753 | 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID | VCEFNMHMLWBFNV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB04071 | Cpad | LFERELMXERXKKQ-KMXXXSRASA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB08402 | 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | VNDRRWBKNSHALL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB01264 | Darunavir | CJBJHOAVZSMMDJ-HEXNFIEUSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12332 | Rucaparib | HMABYWSNWIZPAG-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB04790 | 2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol | IBIUTOFGXGGVKQ-XMTFNYHQSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB11725 | Latrepirdine | JNODQFNWMXFMEV-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6cs2 | DB02331 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | YBULOUKTPCHXAL-DEOSSOPVSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB00596 | Ulobetasol | LEHFPXVYPMWYQD-XHIJKXOTSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB02623 | Aminophosphonic Acid-Guanylate Ester | ZGPDMUBRWRJAQQ-UUOKFMHZSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB11636 | Nomegestrol | KZUIYQJTUIACIG-YBZCJVABSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12219 | GSK-424887 | DRXBWLBZWAJIEF-IBGZPJMESA-N | spike glycoprotein |
| -8.6 | 6m71 | DB13682 | Cefpirome | DKOQGJHPHLTOJR-WHRDSVKCSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB14624 | Nandrolone hydrogen sulfate | SKZMVWBZTQNCKW-IZPLOLCNSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB05075 | TG-100801 | JMGXJHWTVBGOKG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB15138 | AZD-9496 | DFBDRVGWBHBJNR-BBNFHIFMSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08011 | (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime | DXIHOIDYHQSQKJ-HMMYKYKNSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB13132 | Artemisinin | BLUAFEHZUWYNDE-NNWCWBAJSA-N | 3CL pro |
| -8.6 | 6lxt | DB15048 | Licogliflozin | XFJAMQQAAMJFGB-ZQGJOIPISA-N | S2 unit |
| -8.6 | 6vxs | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m71 | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB03714 | 4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid | OWWCIKSGGKYNHT-ZDUSSCGKSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6wiq | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.6 | 6vxx | DB13602 | Promegestone | QFFCYTLOTYIJMR-XMGTWHOFSA-N | spike glycoprotein |
| -8.6 | 6w4b | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | nsp9 |
| -8.6 | 6crv | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB15036 | Sitravatinib | WLAVZAAODLTUSW-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lxt | DB00694 | Daunorubicin | STQGQHZAVUOBTE-VGBVRHCVSA-N | S2 unit |
| -8.6 | 6m2n | DB09279 | Fimasartan | AMEROGPZOLAFBN-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m71 | DB11863 | Alvelestat | QNQZWEGMKJBHEM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4b | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | nsp9 |
| -8.6 | 7bv1 | DB07162 | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide | KFJCXIOVAGJCKB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB08092 | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide | VMLSXFMXUNVCSK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB11855 | Revefenacin | FYDWDCIFZSGNBU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB03453 | Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate | MRNGXYMKYHNMLV-PKTZIBPZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB11792 | Mirodenafil | MIJFNYMSCFYZNY-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB09371 | Norethynodrel | ICTXHFFSOAJUMG-SLHNCBLASA-N | 3CL pro |
| -8.6 | 6m2n | DB09378 | Fluprednisolone | MYYIMZRZXIQBGI-HVIRSNARSA-N | 3CL pro |
| -8.6 | 6m3m | DB01685 | Topiroxostat | UBVZQGOVTLIHLH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB06307 | Apoptone | CKAXZOYFIHQCBN-JRRMKBMNSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4b | DB02668 | Je-2147, Ag1776, Kni-764 | CUFQBQOBLVLKRF-RZDMPUFOSA-N | nsp9 |
| -8.6 | 7bv1 | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB01573 | Benzylmorphine | RDJGWRFTDZZXSM-RNWLQCGYSA-N | S2 unit |
| -8.6 | 6vxs | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | ribose phosphatase of NSP3 |
| -8.6 | 7bv1 | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB06137 | KX-01 | HUNGUWOZPQBXGX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB08993 | Enviomycin | HPWIIERXAFODPP-GHBBWTPBSA-N | 3CL pro |
| -8.6 | 6m71 | DB00717 | Norethisterone | VIKNJXKGJWUCNN-XGXHKTLJSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB07859 | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE | LZMOSYUFVYJEPY-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB06257 | HE-2200 | OEVZKEVBDIDVOI-YSZCXEEOSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB00728 | Rocuronium | YXRDKMPIGHSVRX-OOJCLDBCSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB15292 | Foliglurax | ZTEDNASHAWNBKQ-NCELDCMTSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxs | DB15295 | Tenalisib | HDXDQPRPFRKGKZ-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB09006 | Clinofibrate | BMOVQUBVGICXQN-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m71 | DB00834 | Mifepristone | VKHAHZOOUSRJNA-GCNJZUOMSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB07920 | N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide | OGRPZMQLAVBWPV-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB07932 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate | CRLQCBACIMUGDZ-BGYRXZFFSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB06605 | Apixaban | QNZCBYKSOIHPEH-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6cs2 | DB06246 | Exisulind | MVGSNCBCUWPVDA-MFOYZWKCSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB15013 | TAK-243 | KJDAGXLMHXUAGV-DGWLBADLSA-N | S2 unit |
| -8.6 | 6crv | DB11845 | Lucitanib | CUDVHEFYRIWYQD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB07938 | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-chroman-5-yl]methyl]pyrimidine-2,4-diamine | HWJPWWYTGBZDEG-CQSZACIVSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB07124 | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | CCIACUJJBPSOHE-KRWDZBQOSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07148 | (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one | HPAFVLDARQIHPU-HNNXBMFYSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB07967 | 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE | JJNKDTWKWYLERH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6crv | DB12679 | WP 1066 | VFUAJMPDXIRPKO-LQELWAHVSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB09123 | Dienogest | AZFLJNIPTRTECV-FUMNGEBKSA-N | 3CL pro |
| -8.6 | 7bv1 | DB07133 | D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide | CHKWABXWPATIIG-UXHICEINSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB13122 | Trabodenoson | AQLVRTWKJDTWQQ-SDBHATRESA-N | 3CL pro |
| -8.6 | 6lxt | DB15078 | Rogaratinib | HNLRRJSKGXOYNO-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m71 | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB13499 | Cefsulodin | SYLKGLMBLAAGSC-QLVMHMETSA-N | spike glycoprotein |
| -8.6 | 6crv | DB11811 | Arhalofenate | BJBCSGQLZQGGIQ-QGZVFWFLSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB01216 | Finasteride | DBEPLOCGEIEOCV-WSBQPABSSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB13080 | Roluperidone | RNRYULFRLCBRQS-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB08340 | N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE | LLYYAUZAGCZEKV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB00171 | ATP | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB11819 | ASP-4058 | NJNXCJPSMWKXHO-VIFPVBQESA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB12547 | LY-2886721 | NIDRNVHMMDAAIK-YPMLDQLKSA-N | 3CL pro |
| -8.6 | 6cs2 | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m3m | DB01698 | Rutin | IKGXIBQEEMLURG-NVPNHPEKSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB15055 | ABT-639 | AGPIHNZOZNKRGT-CYBMUJFWSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB03823 | Epigallocatechin | XMOCLSLCDHWDHP-IUODEOHRSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | spike glycoprotein |
| -8.6 | 6lxt | DB05944 | Varlitinib | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | S2 unit |
| -8.6 | 6m71 | DB02545 | Fexaramine | VLQTUNDJHLEFEQ-KGENOOAVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB14770 | Lanraplenib | XCIGZBVOUQVIPI-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB15446 | Vidofludimus | XPRDUGXOWVXZLL-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB11443 | Orbifloxacin | QIPQASLPWJVQMH-DTORHVGOSA-N | 3CL pro |
| -8.6 | 6m3m | DB01136 | Carvedilol | OGHNVEJMJSYVRP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB03837 | Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide | YUMYYTORLYHUFW-ZUDLOMHPSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB00796 | Candesartan cilexetil | GHOSNRCGJFBJIB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB14725 | Cefamandole nafate | RRJHESVQVSRQEX-SUYBPPKGSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08240 | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE | RQAQWBFHPMSXKR-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB11763 | Momelotinib | ZVHNDZWQTBEVRY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB12542 | GSK-356278 | AWDJJMXJUOHGLC-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6cs2 | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB15124 | PF-05241328 | RVTSXVZXEGFIPW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB14944 | Tarloxotinib | MUJMYVFVAWFUJL-SNAWJCMRSA-O | S2 unit |
| -8.6 | 6m2n | DB13991 | Pipequaline | AMEWZCMTSIONOX-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxs | DB00354 | Buclizine | MOYGZHXDRJNJEP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxx | DB15132 | AZD-8165 | YUHNXUAATAMVKD-PZJWPPBQSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB02691 | Glycocholic acid | RFDAIACWWDREDC-FRVQLJSFSA-M | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB14640 | Isoflupredone acetate | ZOCUOMKMBMEYQV-GSLJADNHSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB08400 | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | KUEKMTNOUPAOBS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB05414 | Pipendoxifene | JICOGKJOQXTAIP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB15292 | Foliglurax | ZTEDNASHAWNBKQ-NCELDCMTSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB05416 | Cardarine | YDBLKRPLXZNVNB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB08639 | Dapivirine | ILAYIAGXTHKHNT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB01933 | 7-Hydroxystaurosporine | PBCZSGKMGDDXIJ-HQCWYSJUSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | S2 unit |
| -8.6 | 6w4b | DB02009 | L-756,423 | AOMZDQMIOCTPQP-QHQMVRJISA-N | nsp9 |
| -8.6 | 6cs2 | DB08631 | N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | UVSIFVBCHJEYJP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB15006 | Flufenoxuron | RYLHNOVXKPXDIP-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lxt | DB13042 | Fenoverine | UBAJTZKNDCEGKL-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w4b | DB01897 | 2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride | BEIGFKLRGRRJJA-JLHYYAGUSA-O | nsp9 |
| -8.6 | 6lxt | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | S2 unit |
| -8.6 | 7bv1 | DB12823 | Tecarfarin | QFLNTQDOVCLQKW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB12122 | Figopitant | HUTHJVYJUPXHDF-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB01132 | Pioglitazone | HYAFETHFCAUJAY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB05511 | Piclidenoson | HUJXGQILHAUCCV-MOROJQBDSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB00180 | Flunisolide | XSFJVAJPIHIPKU-XWCQMRHXSA-N | spike glycoprotein |
| -8.6 | 6crv | DB11755 | Tetrahydrocannabivarin | ZROLHBHDLIHEMS-HUUCEWRRSA-N | spike glycoprotein |
| -8.6 | 6w4b | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | nsp9 |
| -8.6 | 6w4b | DB00984 | Nandrolone phenpropionate | UBWXUGDQUBIEIZ-QNTYDACNSA-N | nsp9 |
| -8.6 | 6lxt | DB06169 | Indibulin | SOLIIYNRSAWTSQ-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w4b | DB00619 | Imatinib | KTUFNOKKBVMGRW-UHFFFAOYSA-N | nsp9 |
| -8.6 | 6crv | DB12621 | ST-101 | QZWYXEBIQWJXAR-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB02925 | Piretanide | UJEWTUDSLQGTOA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB00421 | Spironolactone | LXMSZDCAJNLERA-ZHYRCANASA-N | spike glycoprotein |
| -8.6 | 6vxx | DB15437 | Rocacetrapib | GBHPDJQHZADVAA-SOKVYYICSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB02919 | 2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine | PUOZHLHNKHRTOW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB15407 | Acalisib | DOCINCLJNAXZQF-LBPRGKRZSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB15406 | GLPG-0974 | MPMKMQHJHDHPBE-RUZDIDTESA-N | spike glycoprotein |
| -8.6 | 6vxx | DB06837 | (2R)-N-4-hydroxy-2-(3-hydroxybenzyl)-N-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide | VXDKQRWTOJFQKH-BJZITVGISA-N | spike glycoprotein |
| -8.6 | 6m2n | DB11371 | Alfaxalone | DUHUCHOQIDJXAT-OLVMNOGESA-N | 3CL pro |
| -8.6 | 6vxx | DB15319 | VM4-037 | QGYZPMXIVNIGKA-GMAHTHKFSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB01697 | beta-cellotriose | FYGDTMLNYKFZSV-CSHPIKHBSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB08976 | Floctafenine | APQPGQGAWABJLN-GFCCVEGCSA-N | 3CL pro |
| -8.6 | 7bv1 | DB11698 | Ipragliflozin | AHFWIQIYAXSLBA-RQXATKFSSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB08530 | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | QFSMMXJBEBXTJP-UHFFFAOYSA-O | spike glycoprotein |
| -8.6 | 6cs2 | DB03696 | Lanosterol | CAHGCLMLTWQZNJ-BQNIITSRSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB06306 | Onalespib | IFRGXKKQHBVPCQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB08052 | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | NVRXTLZYXZNATH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB02398 | 6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine | NLBDETRVUYOIHQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB06281 | Torcetrapib | CMSGWTNRGKRWGS-NQIIRXRSSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB04739 | 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE | JHMBUEWQJDGKGS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB03685 | Uridine monophosphate | DJJCXFVJDGTHFX-XVFCMESISA-N | spike glycoprotein |
| -8.6 | 6vxx | DB03687 | 4-Diphosphocytidyl-2-C-Methyl-D-Erythritol | YFAUKWZNPVBCFF-XHIBXCGHSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB06268 | Sitaxentan | PHWXUGHIIBDVKD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB13534 | Gedocarnil | SLYDYLLJUXFULK-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxx | DB06237 | Avanafil | WEAJZXNPAWBCOA-INIZCTEOSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB09290 | Ramosetron | NTHPAPBPFQJABD-LLVKDONJSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB03383 | 5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide | YDCGVASFVACWKF-NRFANRHFSA-N | S2 unit |
| -8.6 | 6lxt | DB14717 | Nitrazolam | OYRPNABWTHDOFK-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6vxx | DB06169 | Indibulin | SOLIIYNRSAWTSQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB08349 | N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | WMEYCLAVMZKZCS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB06148 | Mianserin | UEQUQVLFIPOEMF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB07422 | (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | MMNRWNREMUMYQG-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB06137 | KX-01 | HUNGUWOZPQBXGX-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB03725 | Phosphomethylphosphonic Acid-Guanylate Ester | PHBDHXOBFUBCJD-KQYNXXCUSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB05220 | Alisertib | ZLHFILGSQDJULK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB12129 | Tideglusib | PMJIHLSCWIDGMD-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB12285 | Verubecestat | YHYKUSGACIYRML-KRWDZBQOSA-N | 3CL pro |
| -8.6 | 6cs2 | DB04244 | (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide | YCDHZDINQZLSRR-DNQXCXABSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB02610 | N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide | LRKSHOLYETXPGY-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB02128 | [1-(3-Hydroxy-2-Oxo-1-Phenethyl-Propylcarbamoyl)2-Phenyl-Ethyl]-Carbamic Acid Pyridin-4-Ylmethyl Ester | QCUBCTPTNWPFBC-ZEQRLZLVSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB04771 | 1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE | FIZYZWLGMGGGBJ-OALUTQOASA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB12391 | Sagopilone | BFZKMNSQCNVFGM-UCEYFQQTSA-N | S2 unit |
| -8.6 | 6vxx | DB06472 | Fradafiban | IKZACQMAVUIGPY-HOTGVXAUSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | S2 unit |
| -8.6 | 6lu7 | DB04868 | Nilotinib | HHZIURLSWUIHRB-UHFFFAOYSA-N | Replicase polyprotein 1ab |
| -8.6 | 6vxx | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07064 | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE | HPVCRUIDFODATB-LJQANCHMSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07059 | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | GBXSOZDYCSBLQX-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB05408 | Emricasan | SCVHJVCATBPIHN-SJCJKPOMSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB01895 | Aspartyl-Adenosine-5'-Monophosphate | QPBSGQWTJLPZNF-VWJPMABRSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB07015 | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine | XDSKICAQKGYYJF-OLZOCXBDSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07005 | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide | VZFTWWJAUZOJDH-MOPGFXCFSA-O | spike glycoprotein |
| -8.6 | 6m71 | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB08092 | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide | VMLSXFMXUNVCSK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB07156 | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione | JFEKAVPMVOLVTH-UNOMPAQXSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB02155 | Balanol Analog 8 | XVLMXAUKCDSMMW-YXLARRHKSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB12072 | Orantinib | NHFDRBXTEDBWCZ-ZROIWOOFSA-N | 3CL pro |
| -8.6 | 6vxx | DB06907 | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID | XVNRKPCHMYOPPL-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB03608 | Diminazene | XNYZHCFCZNMTFY-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB06883 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea | DHNYNLNKNQJSHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB03619 | Deoxycholic Acid | KXGVEGMKQFWNSR-LLQZFEROSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB07254 | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | KQGTYXRWSIBDOZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB07265 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID | JDARUOOLJCFUOY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB06533 | Ragaglitazar | WMUIIGVAWPWQAW-XMMPIXPASA-N | spike glycoprotein |
| -8.6 | 6vxx | DB06532 | Pafuramidine | UKOQVLAXCBRRGH-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB06529 | Ocinaplon | OQJFBUOFGHPMSR-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | S2 unit |
| -8.6 | 6vxx | DB06499 | Furaprofen | ODZUWQAFWMLWCF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB06362 | Becatecarin | JSKFWUPVIZYJMR-UDOAKELVSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB02639 | 4-methylumbelliferyl alpha-D-glucoside | YUDPTGPSBJVHCN-JZYAIQKZSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB14870 | PF-5190457 | ZIUDADZJCKGWKR-AREMUKBSSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB04853 | Binodenoson | XJFMHMFFBSOEPR-DNZQAUTHSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB01967 | N-{3-[(7ar,12as,12bs)-7-Oxo-1,3,4,6,7,7a,12a,12b-Octahydroindolo[2,3-a]Quinolizin-12(2h)-Yl]Propyl}Propane-2-Sulfonamide | LICJTIDRHJECTD-SFHVURJKSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB01965 | 2'-Deoxyuridine 5'-Alpha,Beta-Imido-Triphosphate | XZLLMTSKYYYJLH-SHYZEUOFSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB04038 | Ergosterol | DNVPQKQSNYMLRS-APGDWVJJSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB08154 | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile | WHCLIFOVZDANCU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB12235 | Estetrol | AJIPIJNNOJSSQC-NYLIRDPKSA-N | 3CL pro |
| -8.6 | 6m2n | DB12238 | MK-0777 | QKIWQBLNTSQOLY-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxx | DB03996 | 3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol | QBZAPFWYAPXRGQ-KRWDZBQOSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB04879 | Vatalanib | YCOYDOIWSSHVCK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB03987 | 2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine | XWCCXDBXMCTZPW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB02827 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | MDYIGSPVMWSFEZ-JTQLQIEISA-N | S2 unit |
| -8.6 | 6m71 | DB08124 | 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE | FTQYGMLRLRXBPT-IDUWFGFVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB12242 | AZD-7762 | IAYGCINLNONXHY-LBPRGKRZSA-N | 3CL pro |
| -8.6 | 7bv1 | DB04841 | Flunarizine | SMANXXCATUTDDT-QPJJXVBHSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB12253 | GDC-0810 | BURHGPHDEVGCEZ-KJGLQBJMSA-N | S2 unit |
| -8.6 | 6lxt | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | S2 unit |
| -8.6 | 6m2n | DB12254 | ABT-751 | URCVCIZFVQDVPM-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxx | DB03837 | Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide | YUMYYTORLYHUFW-ZUDLOMHPSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB03823 | Epigallocatechin | XMOCLSLCDHWDHP-IUODEOHRSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB14662 | Flunisolide acetate | WEGNFRKBIKYVLC-XTLNBZDDSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | S2 unit |
| -8.6 | 6m2n | DB12275 | Seviteronel | ZBRAJOQFSNYJMF-SFHVURJKSA-N | 3CL pro |
| -8.6 | 6crv | DB09201 | Ciglitazone | YZFWTZACSRHJQD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB12322 | GW-870086 | WUBKGTSFJSEIEM-NSHBDUGJSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | S2 unit |
| -8.6 | 6vxx | DB03507 | 6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One | UXGUZFZBZPPZGL-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB03486 | Phosphomethylphosphonic Acid Guanosyl Ester | OCJWYBKRHNXUME-KQYNXXCUSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB03467 | Naringenin | FTVWIRXFELQLPI-ZDUSSCGKSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB04030 | 1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole | ADXYEWMDAGIULV-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB09124 | Medrogestone | HCFSGRMEEXUOSS-JXEXPEPMSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB02873 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One | YAWZIQKDHQIHOS-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lxt | DB13471 | Nalfurafine | XGZZHZMWIXFATA-UEZBDDGYSA-N | S2 unit |
| -8.6 | 6cs2 | DB08005 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide | ARMFMDYRYOKSOW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB04685 | 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE | GJNIPWYJQUGERM-BFLUCZKCSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB09143 | Sonidegib | VZZJRYRQSPEMTK-CALCHBBNSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB12183 | Sapitinib | DFJSJLGUIXFDJP-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lxt | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | S2 unit |
| -8.6 | 6cs2 | DB08003 | ISOTHIAZOLIDINONE ANALOG | UILYPHAKDBTKQV-UFYCRDLUSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6wiq | DB12457 | Rimegepant | KRNAOFGYEFKHPB-ANJVHQHFSA-N | nsp7-nsp8 |
| -8.6 | 6vxx | DB04778 | SC45647 | LPSXGZAUAOMRNU-FZKQIMNGSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB07630 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-IAGOWNOFSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB02049 | 2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide | QOPFTBAEAJQKSY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m71 | DB07666 | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | OAWGQHXWGXOUKV-BEFAXECRSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB04669 | TRIAZOLOPYRIMIDINE | YWBFPKPWMSWWEA-UHFFFAOYSA-O | spike glycoprotein |
| -8.6 | 6vxx | DB02915 | 4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine | MEZFDQUDLQCVNX-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB08445 | (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE | IFKWHPAWYJARQJ-DYVFJYSZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB04726 | 7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE | KPDQZGKJTJRBGU-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB04480 | 3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole | NBDZLUOYAAVYHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB14649 | Dexamethasone acetate | AKUJBENLRBOFTD-RPRRAYFGSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB12299 | Bavisant | BGBVSGSIXIIREO-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB04644 | 4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID | FCEMCUPAYRPTLS-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB14821 | Macozinone | BJDZBXGJNBMCAV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB14653 | Clocortolone caproate | MMTRTBFDFNRBQO-ANHDKODLSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB04395 | Phosphoaminophosphonic Acid-Adenylate Ester | PVKSNHVPLWYQGJ-FCIPNVEPSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB04315 | Guanosine-5'-Diphosphate | QGWNDRXFNXRZMB-UUOKFMHZSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB14795 | AZD-3759 | MXDSJQHFFDGFDK-CYBMUJFWSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB09080 | Olodaterol | COUYJEVMBVSIHV-SFHVURJKSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB04204 | [(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid | SRHSAABKYJDBDV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB04047 | [Pterin-6-Yl Methanyl]-Phosphonophosphate | AMDUVUKDRBIVAH-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB01977 | 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine | AECPTICWHONWNW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB09119 | Eslicarbazepine acetate | QIALRBLEEWJACW-INIZCTEOSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lu7 | DB12983 | Phthalocyanine | IEQIEDJGQAUEQZ-UHFFFAOYSA-N | Replicase polyprotein 1ab |
| -8.6 | 6vxx | DB07087 | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | YMSZEVAWRFDVQX-GHVWTTSJSA-N | spike glycoprotein |
| -8.6 | 6wiq | DB12185 | Exatecan | ZVYVPGLRVWUPMP-FYSMJZIKSA-N | nsp7-nsp8 |
| -8.6 | 6vxx | DB02177 | 1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine | GKGJFUXSTSUKPB-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08659 | 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide | PPDLAUCFAOODER-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB12459 | Belotecan | LNHWXBUNXOXMRL-VWLOTQADSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB08746 | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | ZOSSOFIFNGGDKG-GIJQJNRQSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB02197 | 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide | NKORVPQBJCGYEC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB08737 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL | FSYFYSFYUHBIHE-GLJUWKHASA-N | spike glycoprotein |
| -8.6 | 6vxx | DB08732 | NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE | UUOOAGBWJUGBMV-APWZRJJASA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB00693 | Fluorescein | GNBHRKFJIUUOQI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB08707 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine | AQVFETGXIRKVAQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB11883 | SB-705498 | JYILLRHXRVTRSH-GFCCVEGCSA-N | 3CL pro |
| -8.6 | 6vxx | DB08657 | 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID | SSXCWVOQWRUMGN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08672 | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | OIWWNWQZJJKBTR-CYBMUJFWSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB15206 | Uprifosbuvir | SFPFZQKYPOWCSI-KHFYHRBSSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB11430 | Monensin | GAOZTHIDHYLHMS-KEOBGNEYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB04194 | Chitotriose | WZZVUHWLNMNWLW-VFCSDQTKSA-N | S2 unit |
| -8.6 | 6m71 | DB08861 | DPDPE | MCMMCRYPQBNCPH-WMIMKTLMSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB12391 | Sagopilone | BFZKMNSQCNVFGM-UCEYFQQTSA-N | 3CL pro |
| -8.6 | 6m71 | DB06163 | Plevitrexed | IEJSCSAMMLUINT-NRFANRHFSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB02266 | Flufenamic Acid | LPEPZBJOKDYZAD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB08815 | Lurasidone | PQXKDMSYBGKCJA-CVTJIBDQSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB08233 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | RFSDQDHHBKYQOD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB05626 | Retaspimycin | OAKGNIRUXAZDQF-TXHRRWQRSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | S2 unit |
| -8.6 | 6crv | DB08702 | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | QPKYPOMZPFDBEZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB04350 | Argadin | FOZYKTUSOWWQGR-KNPYFFGGSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB02400 | 5-Methoxy-1,2-Dimethyl-3-(4-Nitrophenoxymethyl)Indole-4,7-Dione | IBLWSLZYYZHSRG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB04348 | Taurocholic Acid | WBWWGRHZICKQGZ-HZAMXZRMSA-N | S2 unit |
| -8.6 | 6vxx | DB08997 | Dexetimide | LQQIVYSCPWCSSD-HSZRJFAPSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB09047 | Finafloxacin | FYMHQCNFKNMJAV-HOTGVXAUSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08613 | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL | OFBFUNBBOQCNFX-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB11765 | PF-04991532 | GKMLFBRLRVQVJO-ZDUSSCGKSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB11745 | Otenabant | UNAZAADNBYXMIV-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB11741 | Famitinib | GKEYKDOLBLYGRB-LGMDPLHJSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB01691 | Indole Naphthyridinone | VAZMNDXVXVUKFY-JXMROGBWSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB15275 | GDC-0077 | SGEUNORSOZVTOL-CABZTGNLSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB00984 | Nandrolone phenpropionate | UBWXUGDQUBIEIZ-QNTYDACNSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB04628 | Allosamidin | MDWNFWDBQGOKNZ-XYUDZHFQSA-N | S2 unit |
| -8.6 | 6vxx | DB11645 | PF-4191834 | DVNQWYLVSNPCJZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB01016 | Glyburide | ZNNLBTZKUZBEKO-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB11592 | Nitrocefin | LHNIIDJCEODSHA-OQRUQETBSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB13856 | Fluclorolone | VTWKPILBIUBMDS-OTJLYDAYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB01041 | Thalidomide | UEJJHQNACJXSKW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB04616 | TACRINE(8)-4-AMINOQUINOLINE | UNVOAAWEEGAXTN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB07792 | (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | VUKPNWLGSLOHIF-AWEZNQCLSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB11521 | Imidocarb | SCEVFJUWLLRELN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB11490 | Nalorphine | UIQMVEYFGZJHCZ-SSTWWWIQSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB11811 | Arhalofenate | BJBCSGQLZQGGIQ-QGZVFWFLSA-N | 3CL pro |
| -8.6 | 6crv | DB08580 | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline | JEGGWFHNKPRKTO-CQSZACIVSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB04607 | PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE | UQAWGIKJINAKIZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB00715 | Paroxetine | AHOUBRCZNHFOSL-YOEHRIQHSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB09215 | Droxicam | OEHFRZLKGRKFAS-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB09200 | Rivoglitazone | XMSXOLDPMGMWTH-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB09177 | p-Fluorofentanyl | KXUBAVLIJFTASZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB04983 | Denufosol | FPNPSEMJLALQSA-MIYUEGBISA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB01125 | Anisindione | XRCFXMGQEVUZFC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB11522 | Isoflupredone | WAIJIHDWAKJCBX-BULBTXNYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB13778 | Cefazedone | VTLCNEGVSVJLDN-MLGOLLRUSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB06311 | Darapladib | WDPFJWLDPVQCAJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6wiq | DB06435 | Tarazepide | CZPILLBHPRAPCB-AREMUKBSSA-N | nsp7-nsp8 |
| -8.6 | 7bv1 | DB08164 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE | GOBIXGZJSMAOFV-QRWLVFNGSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB08154 | 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile | WHCLIFOVZDANCU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB07764 | FLUORESCIN | MURGITYSBWUQTI-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB06652 | Vicriviroc | CNPVJJQCETWNEU-CYFREDJKSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07743 | S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE | VNGWUVBXUIDQTK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB01864 | 5'-Guanosine-Diphosphate-Monothiophosphate | XOFLBQFBSOEHOG-UUOKFMHZSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB06743 | Ginkgolide A | FPUXKXIZEIDQKW-VKMVSBOZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB06744 | ginkgolide-B | SQOJOAFXDQDRGF-MMQTXUMRSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB06747 | ginkgolide-M | KDKROYXEHCYLJQ-FJFAJXJPSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07489 | 4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium | WWGPTHOMFHDEEC-UHFFFAOYSA-O | spike glycoprotein |
| -8.6 | 6m2n | DB12322 | GW-870086 | WUBKGTSFJSEIEM-NSHBDUGJSA-N | 3CL pro |
| -8.6 | 6lxt | DB02323 | EM-1745 | CKSDYJASHNGOOS-KTXOUVACSA-N | S2 unit |
| -8.6 | 6m2n | DB12321 | Ifetroban | BBPRUNPUJIUXSE-DXKRWKNPSA-N | 3CL pro |
| -8.6 | 2fxp | DB04016 | 2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid | XUJQPDQURBZEGJ-KXQOOQHDSA-N | HR2 |
| -8.6 | 6m71 | DB06897 | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol | MMGKIHLBFPJYJL-HNNXBMFYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07359 | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide | SJTQKYKXCYVFHX-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB07809 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | MBJYEMUMDMGQQC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB06955 | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | OAMCCJASDLMTOO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB03788 | GC-24 | JYHIGYLGYNCMGI-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6cs2 | DB08125 | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | BOMPRXSVSIPRDT-PTNGSMBKSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB08513 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | PAIQRYUOBBCBSE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB02331 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | YBULOUKTPCHXAL-DEOSSOPVSA-N | S2 unit |
| -8.6 | 6cs2 | DB07848 | 5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide | BHNMMFGOJRIAEZ-LRDDRELGSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m3m | DB02237 | Maltotetraose | UYQJCPNSAVWAFU-KVXMBEGHSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB07283 | 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid | VDOXYKGIKBUISK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07095 | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide | BNCHHUFGEOJCNH-SFHVURJKSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB12048 | Savolitinib | XYDNMOZJKOGZLS-NSHDSACASA-N | 3CL pro |
| -8.6 | 6m71 | DB07031 | 3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid | AANFHDFOMFRLLR-LJQANCHMSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07778 | FAMOXADONE | PCCSBWNGDMYFCW-QFIPXVFZSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB08354 | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | QCVULERVJOYHCP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07795 | Fisetin | XHEFDIBZLJXQHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07812 | N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide | TWYNGDRSMHRPSY-MRXNPFEDSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08727 | 3-Methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole | NEAZMARKCJKUMF-QGZVFWFLSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB08246 | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | WFFMEXQHWXEKBV-SFHVURJKSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB01524 | Androstenediol | QADHLRWLCPCEKT-LOVVWNRFSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08732 | NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE | UUOOAGBWJUGBMV-APWZRJJASA-N | spike glycoprotein |
| -8.6 | 6vxx | DB02623 | Aminophosphonic Acid-Guanylate Ester | ZGPDMUBRWRJAQQ-UUOKFMHZSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB03010 | Patupilone | QXRSDHAAWVKZLJ-PVYNADRNSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB04099 | Deamido-Nad+ | SENPVEZBRZQVST-HISDBWNOSA-O | S2 unit |
| -8.6 | 6m71 | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB02639 | 4-methylumbelliferyl ??-D-glucoside | YUDPTGPSBJVHCN-JZYAIQKZSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB04098 | Balanol | XYUFCXJZFZPEJD-PGRDOPGGSA-N | S2 unit |
| -8.6 | 6m71 | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB11943 | Delafloxacin | DYDCPNMLZGFQTM-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m71 | DB06347 | Cenisertib | KSOVGRCOLZZTPF-QMKUDKLTSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB13135 | AGN-201904 | PPCGSVWOZKNPCX-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6vxx | DB08300 | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | UOKGZPYGRJDACN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB08703 | 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one | FGKKIHITEICGMN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB08137 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide | ZMWYSLJBNJUCRK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB08125 | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | BOMPRXSVSIPRDT-PTNGSMBKSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB08123 | N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | GEWPSTLKJDIUHW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lu7 | DB15399 | BMS-754807 | LQVXSNNAFNGRAH-QHCPKHFHSA-N | Replicase polyprotein 1ab |
| -8.6 | 6lxt | DB04044 | 4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid | NAQUAVBNIYTIIS-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m2n | DB12350 | Rostafuroxin | AEAPORIZZWBIEX-DTBDINHYSA-N | 3CL pro |
| -8.6 | 6vxx | DB07909 | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL | OBWILOKKNDYPLX-HBMCJLEFSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07879 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide | SMSIXMLQOONOQQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07876 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE | AWDORCFLUJZUQS-ZDUSSCGKSA-N | spike glycoprotein |
| -8.6 | 6crv | DB08754 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | VSHUQLRHTJOKTA-XBXARRHUSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB02717 | Cellotetraose | LUEWUZLMQUOBSB-HGDSAIHNSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07839 | N-2-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | VFNWTXUFNNOQHD-QFIPXVFZSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB01557 | alpha-Methylfentanyl | NGTVDHYUFBKWID-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB08973 | Fluclorolone acetonide | NJNWEGFJCGYWQT-VSXGLTOVSA-N | 3CL pro |
| -8.6 | 6m71 | DB11942 | Selinexor | DEVSOMFAQLZNKR-RJRFIUFISA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB07141 | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | QVXYJVHNRPNRJL-HNNXBMFYSA-N | S2 unit |
| -8.6 | 6vxs | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB07982 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol | PVTKDXZNSUHUMO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6lxt | DB07297 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | PTILEOLOGGMFCS-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m2n | DB07861 | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide | MMOUXLMPQFMDRD-JOCHJYFZSA-N | 3CL pro |
| -8.6 | 7bv1 | DB06916 | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE | LBCGUKCXRVUULK-QGZVFWFLSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB12391 | Sagopilone | BFZKMNSQCNVFGM-UCEYFQQTSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB12380 | GDC-0152 | WZRFLSDVFPIXOV-LRQRDZAKSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB13355 | Visnadine | GVBNSPFBYXGREE-CXWAGAITSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB13369 | Benzilone | ZKCWITXZGWUJAV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB07889 | (2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol | VCPXSBULBDYRLT-SFHVURJKSA-N | 3CL pro |
| -8.6 | 6m3m | DB13374 | Vincamine | RXPRRQLKFXBCSJ-GIVPXCGWSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB00146 | Calcifediol | JWUBBDSIWDLEOM-DTOXIADCSA-N | 3CL pro |
| -8.6 | 6m3m | DB03687 | 4-Diphosphocytidyl-2-C-Methyl-D-Erythritol | YFAUKWZNPVBCFF-XHIBXCGHSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB13248 | Phthalylsulfathiazole | PBMSWVPMRUJMPE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB07716 | (4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL | VDRIXSJOPKVWKM-HXGIDPQASA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB07698 | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine | JDNMRPIWJIDDAY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB13432 | Lonazolac | XVUQHFRQHBLHQD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB07665 | N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide | STHCHQXQLDMISY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB13435 | Endralazine | ALAXZYHFVBSJKZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB07252 | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | TZHCXOMEOHEZDX-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w4h | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m71 | DB12341 | LY-2456302 | ZHPMYDSXGRRERG-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB07607 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | RXDZANYWRNIAOR-HHHXNRCGSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB06673 | Almorexant | DKMACHNQISHMDN-RPLLCQBOSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB07945 | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid | GKBQRPKZHUFGOB-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6crv | DB06696 | Arbekacin | MKKYBZZTJQGVCD-XTCKQBCOSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB07519 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | VDFBMQAUECXNKR-OAQYLSRUSA-N | nsp16 - nsp10 |
| -8.6 | 6vxs | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxx | DB07607 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | RXDZANYWRNIAOR-HHHXNRCGSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB13242 | Bucladesine | CJGYSWNGNKCJSB-YVLZZHOMSA-N | nucleocapsid protein |
| -8.6 | 6m71 | DB12978 | Pexidartinib | JGWRKYUXBBNENE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB08011 | (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime | DXIHOIDYHQSQKJ-HMMYKYKNSA-N | nsp16 - nsp10 |
| -8.6 | 7bv1 | DB13040 | Gandotinib | SQSZANZGUXWJEA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lzg | DB13164 | Olmutinib | FDMQDKQUTRLUBU-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6crv | DB06358 | Iclaprim | HWJPWWYTGBZDEG-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB01538 | Acetyldihydrocodeine | LGGDXXJAGWBUSL-BKRJIHRRSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB12129 | Tideglusib | PMJIHLSCWIDGMD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB13090 | Zidebactam | YCZPXRQPDCXTIO-BBBLOLIVSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB08389 | 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UPTQSRGSSJRBKJ-LJQANCHMSA-N | nsp16 - nsp10 |
| -8.6 | 6vxx | DB08816 | Ticagrelor | OEKWJQXRCDYSHL-FNOIDJSQSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB14898 | Retagliptin | WIIAMRXFUJLYEF-SNVBAGLBSA-N | 3CL pro |
| -8.6 | 6m3m | DB13115 | Saroglitazar | MRWFZSLZNUJVQW-DEOSSOPVSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB13122 | Trabodenoson | AQLVRTWKJDTWQQ-SDBHATRESA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB02008 | 1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine | JHSHXKJSPVHPCJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB08241 | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE | RUUOIINPNMNPIU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6cs2 | DB07081 | (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | FDEXEPZGMKFCTG-PSASIEDQSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxs | DB12705 | Cenerimod | KJKKMMMRWISKRF-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB13135 | AGN-201904 | PPCGSVWOZKNPCX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB06465 | FK-960 | XTOKQKWTUYYVAO-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB13175 | Rheinanthrone | OZFQHULMMDWMIV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB07831 | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | SHSORWZDEKFFLP-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 7bv1 | DB13016 | LY-2300559 | DWQVYDLTPMGYNE-DEOSSOPVSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB13212 | Phenolsulfonphthalein | BELBBZDIHDAJOR-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB12743 | Z-160 | VCPMZDWBEWTGNW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxx | DB07717 | (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | AJODXHGZHBERGJ-JLYQOUBASA-N | spike glycoprotein |
| -8.6 | 6m3m | DB13237 | Clofoctol | HQVZOORKDNCGCK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB07843 | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE | LTJNKFUIOOJXNJ-WFASDCNBSA-N | 3CL pro |
| -8.6 | 6w4h | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB07508 | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | MEUAVGJWGDPTLF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB12988 | LY-518674 | PNHFDVSKDSLUFH-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB02319 | 5,6-Dihydroxy-Nadp | LRAVAOPKUBJONV-IVCJQJMGSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB08970 | Fluprednidene | YVHXHNGGPURVOS-SBTDHBFYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB13692 | Tretoquinol | RGVPOXRFEPSFGH-AWEZNQCLSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB06858 | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide | MMLOIDMSBRJZAE-FQEVSTJZSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB08051 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | XXRHRPGYYNOBHO-QGZVFWFLSA-N | 3CL pro |
| -8.6 | 6w4h | DB06992 | (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone | SIDDLTBLAQYZIZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB06865 | 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID | ZSRRBAKATXAISL-LMNJBCLMSA-N | spike glycoprotein |
| -8.6 | 6crv | DB06866 | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID | NMOUMGFCBOWPAB-RZUBCFFCSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB07548 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE | JXHWVKOKYDAROD-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB06963 | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | ZFGCLYUGFRNYFE-INIZCTEOSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB06944 | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide | RIGZCVNCFXYBEG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxx | DB11841 | Entinostat | INVTYAOGFAGBOE-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB06869 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE | BMHVHOJXEQTIEA-SIKLNZKXSA-N | spike glycoprotein |
| -8.6 | 6crv | DB06870 | 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE | OXHNQTSIKGHVBH-ANULTFPQSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB13739 | Penamecillin | NLOOMWLTUVBWAW-HLLBOEOZSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB13874 | Enasidenib | DYLUUSLLRIQKOE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6crv | DB12935 | Remogliflozin etabonate | UAOCLDQAQNNEAX-ABMICEGHSA-N | spike glycoprotein |
| -8.6 | 6crv | DB12931 | Fenobam | DWPQODZAOSWNHB-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB06837 | (2R)-N-4-hydroxy-2-(3-hydroxybenzyl)-N-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide | VXDKQRWTOJFQKH-BJZITVGISA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6wiq | DB06925 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | YEIASMOUYNOXGA-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.6 | 6cs2 | DB06876 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | YJWJKKXGAPWLGT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB08063 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE | HLZMYWLMBBLASX-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4h | DB06755 | Beta carotene | OENHQHLEOONYIE-JLTXGRSLSA-N | nsp16 - nsp10 |
| -8.6 | 6lzg | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 1r42 | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | ACE2 area with important AAs |
| -8.6 | 6lxt | DB12960 | INCB-9471 | ZMCJFJZOSKEMOM-DNKZPPIMSA-N | S2 unit |
| -8.6 | 6w4h | DB06634 | Casopitant | XGGTZCKQRWXCHW-WMTVXVAQSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB06630 | Anacetrapib | MZZLGJHLQGUVPN-HAWMADMCSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB08097 | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE | OGWSGDLIXOEZJG-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6cs2 | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w4h | DB08493 | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID | AKWKBACKRMYPRV-NQIIRXRSSA-N | nsp16 - nsp10 |
| -8.6 | 6w4b | DB08387 | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | AZEXWHKOMMASPA-UHFFFAOYSA-N | nsp9 |
| -8.6 | 6m3m | DB03596 | N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide | FSRPBGBMEKDSIJ-CYBMUJFWSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB13534 | Gedocarnil | SLYDYLLJUXFULK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB07409 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | MPBUFKZCEBTBSK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB13551 | Cinchophen | YTRMTPPVNRALON-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB13552 | Trifluperidol | GPMXUUPHFNMNDH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB07014 | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole | TUTZKAQTSPMEBI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w4h | DB07359 | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide | SJTQKYKXCYVFHX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB07340 | N-6-cyclohexyl-N-2-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | ZFLJHSQHILSNCM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB07325 | N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | VCOKUBHAJVTVNG-FMIVXFBMSA-N | nsp16 - nsp10 |
| -8.6 | 7bv1 | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB12325 | Idasanutlin | TVTXCJFHQKSQQM-LJQIRTBHSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB11115 | Ensulizole | UVCJGUGAGLDPAA-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB06983 | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol | RBLKWWBHDUBPFN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6cs2 | DB06967 | 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE | MLSVRCGEBXIIQO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB06777 | Chenodeoxycholic acid | RUDATBOHQWOJDD-BSWAIDMHSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB07226 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE | JWZVNUNTFNELHL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxs | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | ribose phosphatase of NSP3 |
| -8.6 | 7bv1 | DB12746 | AKN-028 | JLRIJKVMMZEKDF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB12467 | TU-100 | KAYRGFYBCCETPE-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lxt | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6cs2 | DB06944 | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide | RIGZCVNCFXYBEG-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 7bv1 | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB13029 | MK-0873 | JJWKQXNHYDJXKF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB07147 | methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | HJWMYFBKJRVWJY-YKSBVNFPSA-N | nsp16 - nsp10 |
| -8.6 | 7bv1 | DB06673 | Almorexant | DKMACHNQISHMDN-RPLLCQBOSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB06829 | 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID | RXDVFLTWXCTCEX-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB13053 | CP-195543 | NZQDWKCNBOELAI-KSFYIVLOSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxs | DB13060 | CEP-37440 | BCSHRERPHLTPEE-NRFANRHFSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | 3CL pro |
| -8.6 | 6w4h | DB06455 | Meclinertant | DYLJVOXRWLXDIG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB08497 | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate | NKBDSMREMMRFSI-INIZCTEOSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB06321 | R-348 | IGLNXKVGKIFNBQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB12388 | Evocalcet | RZNUIYPHQFXBAN-XLIONFOSSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB12499 | Clascoterone | GPNHMOZDMYNCPO-PDUMRIMRSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB03921 | 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline | IBCXZJCWDGCXQT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB12302 | CP-724714 | LLVZBTWPGQVVLW-SNAWJCMRSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB12524 | BI-671800 | XEOSTBFUCNZKGS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB12532 | Oxetacaine | FTLDJPRFCGDUFH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB12307 | Foretinib | CXQHYVUVSFXTMY-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB07548 | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE | JXHWVKOKYDAROD-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4h | DB12186 | SRT-2104 | LAMQVIQMVKWXOC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB12483 | Copanlisib | PZBCKZWLPGJMAO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB12573 | LY-2452473 | IHIWYQYVBNODSV-KRWDZBQOSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB07519 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | VDFBMQAUECXNKR-OAQYLSRUSA-N | S2 unit |
| -8.6 | 6m3m | DB12594 | AZD-9056 | HSQAARMBHJCUOK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4h | DB12082 | Vesnarinone | ZVNYJIZDIRKMBF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB05431 | MLN-977 | YANONWCPCKIWEC-CABCVRRESA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB12939 | Nikkomycin Z | WWJFFVUVFNBJTN-VHDFTHOZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB13097 | 1alpha-Hydroxyvitamin D5 | NWFOBODUYTUMNC-VPSCEVSQSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB13078 | KOSN-1724 | JAYGOFBXDFAXBW-CYEKYUJNSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB00276 | Amsacrine | XCPGHVQEEXUHNC-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m3m | DB12645 | Givinostat | YALNUENQHAQXEA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB06578 | Tonabersat | XLIIRNOPGJTBJD-ROUUACIJSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB12719 | Turofexorate isopropyl | INASOKQDNHHMRE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB03880 | Batimastat | XFILPEOLDIKJHX-QYZOEREBSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB12443 | Sonedenoson | WUCQGGOGHZRELS-LSCFUAHRSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB12467 | TU-100 | KAYRGFYBCCETPE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB00307 | Bexarotene | NAVMQTYZDKMPEU-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lxt | DB12480 | Betulinic Acid | QGJZLNKBHJESQX-FZFNOLFKSA-N | S2 unit |
| -8.6 | 6w4h | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB12843 | Oleandrin | JLPDBLFIVFSOCC-XYXFTTADSA-N | nsp16 - nsp10 |
| -8.6 | 6vxx | DB07973 | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | GIPCBGDQVGKMPO-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB15065 | PF-06291874 | IBDYYOQKQCCSDP-QFIPXVFZSA-N | 3CL pro |
| -8.6 | 6crv | DB13125 | Lusutrombopag | NOZIJMHMKORZBA-KJCUYJGMSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB11703 | Acalabrutinib | WDENQIQQYWYTPO-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -8.6 | 6w4h | DB12720 | Nivocasan | VYFGDLGHHBUDTQ-ZLGUVYLKSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB03970 | (7R)-7-(6,7-Dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid | CHNMLWCTGYMVFH-GFCCVEGCSA-N | nucleocapsid protein |
| -8.6 | 6vxs | DB12101 | CC-220 | IXZOHGPZAQLIBH-NRFANRHFSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB15208 | NOP-1A | MZBCQWLYUQJXKA-KRWDZBQOSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB15132 | AZD-8165 | YUHNXUAATAMVKD-PZJWPPBQSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lzg | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6crv | DB13115 | Saroglitazar | MRWFZSLZNUJVQW-DEOSSOPVSA-N | spike glycoprotein |
| -8.6 | 6m71 | DB12843 | Oleandrin | JLPDBLFIVFSOCC-XYXFTTADSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB12127 | Sultamicillin | OPYGFNJSCUDTBT-PMLPCWDUSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB11681 | Tofimilast | DHCOPPHTVOXDKU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxx | DB07988 | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE | HZAXNPDJVFUGDS-BYPYZUCNSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB07340 | N-6-cyclohexyl-N-2-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | ZFLJHSQHILSNCM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6vxs | DB12137 | GSK-256066 | JFHROPTYMMSOLG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB05087 | Ganaxolone | PGTVWKLGGCQMBR-FLBATMFCSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB15055 | ABT-639 | AGPIHNZOZNKRGT-CYBMUJFWSA-N | 3CL pro |
| -8.6 | 6m2n | DB07620 | 2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE | INAZPZCJNPPHGV-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB07624 | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide | YJFULAYRAKPBCY-DYVFJYSZSA-N | 3CL pro |
| -8.6 | 6vxs | DB01831 | Tryptophanyl-5'amp | IFQVDHDRFCKAAW-SQIXAUHQSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxx | DB08055 | N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | NNBICZMPIJMWGC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB00655 | Estrone | DNXHEGUUPJUMQT-CBZIJGRNSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB13756 | Peruvoside | PMTSPAGBAFCORP-HBUONDEYSA-N | S2 unit |
| -8.6 | 6vxs | DB01763 | 7-thionicotinamide-adenine-dinucleotide phosphate | OJNFDOAQUXJWED-NNYOXOHSSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxs | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxs | DB12512 | Verucerfont | VKHVAUKFLBBZFJ-SFHVURJKSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB06202 | Lasofoxifene | GXESHMAMLJKROZ-IAPPQJPRSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB07743 | S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE | VNGWUVBXUIDQTK-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxs | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxx | DB07663 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | QISJEFYTLZTWIQ-CQSZACIVSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB13051 | CH-5132799 | JEGHXKRHKHPBJD-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6crv | DB12029 | Chlorogenic Acid | CWVRJTMFETXNAD-JUHZACGLSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07653 | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE | VXTCEUDVOCLEJG-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB12985 | Quisinostat | PAWIYAYFNXQGAP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4h | DB08772 | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID | BCSVCWVQNOXFGL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6lzg | DB13019 | Henatinib | MCTXSDCWFQAGFS-UEXNTNOUSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4h | DB08731 | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | GPOKTQCDBPECSS-MRXNPFEDSA-N | nsp16 - nsp10 |
| -8.6 | 7bv1 | DB08015 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime | SZYREAUDQRVVLV-DAFNUICNSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB08710 | (5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE | BKZOQCGDCHOGOQ-MZLJFPOFSA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB07779 | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE | ANQHSFFUNMTTRS-MOPGFXCFSA-N | 3CL pro |
| -8.6 | 6cs2 | DB15224 | Lisavanbulin | NIPZLALJRAHABJ-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB06267 | Udenafil | IYFNEFQTYQPVOC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB12574 | LY-295501 | VAMFSFIPDOODFH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB15241 | Methylsamidorphan | ATCVVCBJNHXIEX-ZAHKBLQYSA-O | spike glycoprotein |
| -8.6 | 6m71 | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB13022 | LY-2874455 | GKJCVYLDJWTWQU-CXLRFSCWSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB07643 | 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | XVLUVRFYGVJKGJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB08487 | 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | PRMSFVUWLBPPLY-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB13039 | Aminaphthone | YLMPBJUYFTWHKJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB12869 | Eliprodil | GGUSQTSTQSHJAH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB13104 | X-396 | ONPGOSVDVDPBCY-CQSZACIVSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4h | DB09233 | Cronidipine | CNIJVNPIIHWRRP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB12832 | Prednimustine | HFVNWDWLWUCIHC-GUPDPFMOSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB07296 | (5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE | PLGHLEBIWUQEPR-PDGQHHTCSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB05590 | Bedoradrine | OANCEOSLKSTLTA-REWPJTCUSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB03860 | N-Butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6h-Cyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide | BVVFOLSZMQVDKV-KXQIQQEYSA-N | nucleocapsid protein |
| -8.6 | 6wiq | DB14785 | Fenebrutinib | WNEODWDFDXWOLU-QHCPKHFHSA-N | nsp7-nsp8 |
| -8.6 | 6lzg | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4h | DB11836 | Sapanisertib | GYLDXIAOMVERTK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxs | DB12369 | Sotrastaurin | OAVGBZOFDPFGPJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB11793 | Niraparib | PCHKPVIQAHNQLW-CQSZACIVSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB05676 | Apremilast | IMOZEMNVLZVGJZ-QGZVFWFLSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB06817 | Raltegravir | CZFFBEXEKNGXKS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB12385 | 10-hydroxycamptothecin | HAWSQZCWOQZXHI-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB05767 | Andrographolide | BOJKULTULYSRAS-OTESTREVSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB12966 | Falnidamol | FTFRZXFNZVCRSK-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxx | DB08096 | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM | ZWKOUFZHPNIQSH-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB07256 | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w4h | DB11734 | Fedovapagon | RUOLFWZIFNQQGH-DEOSSOPVSA-N | nsp16 - nsp10 |
| -8.6 | 6cs2 | DB11464 | Sulfaquinoxaline | NHZLNPMOSADWGC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB07678 | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL | ANAMDWGJXBYJEB-OPWFCKQNSA-N | 3CL pro |
| -8.6 | 6w4h | DB11694 | Ilorasertib | WPHKIQPVPYJNAX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxx | DB07680 | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | HUJXISJLAPAFBO-IBGZPJMESA-N | spike glycoprotein |
| -8.6 | 6crv | DB05884 | HCV-086 | VBRUONUESYTIDA-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB07244 | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE | SRRWXMSVQYQCRX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB07686 | 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE | VPOGRVWIIVMWRI-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lxt | DB07435 | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | GFANZDFKCCJYRF-NSISKUIASA-N | S2 unit |
| -8.6 | 6cs2 | DB00875 | Flupentixol | NJMYODHXAKYRHW-DVZOWYKESA-N | ACE2 area for S-protein binding |
| -8.6 | 6w4h | DB11614 | Rupatadine | WUZYKBABMWJHDL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6cs2 | DB07216 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE | ZMGCFGGMTCMSDP-QHCPKHFHSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB00266 | Dicoumarol | DOBMPNYZJYQDGZ-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4h | DB11430 | Monensin | GAOZTHIDHYLHMS-KEOBGNEYSA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB12929 | JNJ-39220675 | IQOWHZHNGJXGHG-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6cs2 | DB06869 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE | BMHVHOJXEQTIEA-SIKLNZKXSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m71 | DB08034 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE | TVOPERZEGKBKAY-RGVLZGJSSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lzg | DB00224 | Indinavir | CBVCZFGXHXORBI-PXQQMZJSSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4b | DB12012 | PF-04457845 | BATCTBJIJJEPHM-UHFFFAOYSA-N | nsp9 |
| -8.6 | 6crv | DB07263 | [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | WDTMVBQZDFMOIK-GOSISDBHSA-N | spike glycoprotein |
| -8.6 | 6crv | DB07283 | 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid | VDOXYKGIKBUISK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB12174 | CUDC-101 | PLIVFNIUGLLCEK-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12459 | Belotecan | LNHWXBUNXOXMRL-VWLOTQADSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12939 | Nikkomycin Z | WWJFFVUVFNBJTN-VHDFTHOZSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB12686 | PHA-793887 | HUXYBQXJVXOMKX-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6cs2 | DB07595 | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE | WSIQKQLAGWVKSL-UHFFFAOYSA-O | ACE2 area for S-protein binding |
| -8.6 | 7bv1 | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB08490 | CTS-1027 | ROSNVSQTEGHUKU-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4h | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB01215 | Estazolam | CDCHDCWJMGXXRH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB01180 | Rescinnamine | SZLZWPPUNLXJEA-LAFLMMDJSA-N | nsp16 - nsp10 |
| -8.6 | 6lzg | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6crv | DB07322 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | RRXVUYHFDBLTEL-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB07568 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE | ADRNPUSZBRQDBG-KRWDZBQOSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w4h | DB01128 | Bicalutamide | LKJPYSCBVHEWIU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxs | DB00878 | Chlorhexidine | GHXZTYHSJHQHIJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m3m | DB01621 | Pipotiazine | JOMHSQGEWSNUKU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB06589 | Pazopanib | CUIHSIWYWATEQL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6w4b | DB12044 | MK-0893 | DNTVJEMGHBIUMW-IBGZPJMESA-N | nsp9 |
| -8.6 | 6vxx | DB12494 | SGI-1776 | MHXGEROHKGDZGO-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB07312 | 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE | JCXZHFCBNFFHRC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB07257 | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione | WHMQZCPGFZBLBG-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB14934 | GDC-0927 | KJAAPZIFCQQQKX-NDEPHWFRSA-N | nucleocapsid protein |
| -8.6 | 6cs2 | DB06629 | Zibotentan | FJHHZXWJVIEFGJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m3m | DB14774 | Balipodect | KVHRYLNQDWXAGI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB14775 | Cavosonstat | BXSZILNGNMDGSL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB12696 | BMS-582949 | GDTQLZHHDRRBEB-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6lzg | DB15444 | Elexacaftor | MVRHVFSOIWFBTE-INIZCTEOSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB08416 | (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOX1TRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE | AQSNIXKAKUZPSI-SSTWWWIQSA-N | 3CL pro |
| -8.6 | 6w4h | DB02621 | Latrunculin A | DDVBPZROPPMBLW-IZGXTMSKSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB07563 | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine | GCJSOJRPNOWSEH-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB03421 | 2-Phenethyl-2,3-Dihydro-Phthalazine-1,4-Dione | JSSVIGGKHIJEHO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6m2n | DB08439 | Parecoxib | TZRHLKRLEZJVIJ-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4b | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | nsp9 |
| -8.6 | 6m3m | DB01068 | Clonazepam | DGBIGWXXNGSACT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB12874 | Quizartinib | CVWXJKQAOSCOAB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB08449 | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid | IEVFQDJUDLCOQY-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4h | DB02197 | 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide | NKORVPQBJCGYEC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 7bv1 | DB12427 | Orvepitant | XWNBGDJPEXZSQM-VZOBGQTKSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB12443 | Sonedenoson | WUCQGGOGHZRELS-LSCFUAHRSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB07246 | (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE | MKRPIBSCGZAUCH-OAHLLOKOSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB01604 | Pivampicillin | ZEMIJUDPLILVNQ-ZXFNITATSA-N | nucleocapsid protein |
| -8.6 | 7bv1 | DB02873 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One | YAWZIQKDHQIHOS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB15170 | Evobrutinib | QUIWHXQETADMGN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxx | DB07242 | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | XGUIMGJMQKZRGM-LLVKDONJSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB08974 | Flubendazole | CPEUVMUXAHMANV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 7bv1 | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB07328 | METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | USDCNOQKDUFKRD-IKGGRYGDSA-N | spike glycoprotein |
| -8.6 | 6crv | DB07776 | Flavone | VHBFFQKBGNRLFZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB14844 | ONC-201 | VLULRUCCHYVXOH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB08535 | 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | SMIZFGZXFDGISG-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB12675 | PF-04995274 | WLLOFQROROXOMO-GOSISDBHSA-N | 3CL pro |
| -8.6 | 6w4h | DB00146 | Calcifediol | JWUBBDSIWDLEOM-DTOXIADCSA-N | nsp16 - nsp10 |
| -8.6 | 6vxx | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | spike glycoprotein |
| -8.6 | 6w4b | DB13109 | PKI-179 | WXUUCRLKXQMWRY-OYRHEFFESA-N | nsp9 |
| -8.6 | 7bv1 | DB03207 | 2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid | BNVMUDXGABBWGP-OAQYLSRUSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB15265 | USL-311 | XNUNVQKARNSSEO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6w4b | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | nsp9 |
| -8.6 | 6m3m | DB03348 | Huperzine B | YYWGABLTRMRUIT-HWWQOWPSSA-N | nucleocapsid protein |
| -8.6 | 6crv | DB07512 | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE | ZOCADHRNWNJARU-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB01721 | Analogue of Indinavir Drug | MJIRDPUZGGHJMX-OIVSQUILSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB08701 | 2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE | JZCUVYNOSDWORZ-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4b | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | nsp9 |
| -8.6 | 6m3m | DB15377 | ATB-346 | YCNMAPLPQYQJFC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB12379 | Indirubin | CRDNMYFJWFXOCH-BUHFOSPRSA-N | S2 unit |
| -8.6 | 6m3m | DB15297 | Petesicatib | KXAAIORSMACJSI-AEFFLSMTSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB15192 | ABT-288 | GNIRITULTPTAQW-KNQAVFIVSA-N | S2 unit |
| -8.6 | 7bv1 | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lxt | DB01329 | Cefoperazone | GCFBRXLSHGKWDP-XCGNWRKASA-N | S2 unit |
| -8.6 | 6vxx | DB12515 | 9-aminocamptothecin | FUXVKZWTXQUGMW-FQEVSTJZSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m2n | DB14636 | Triciribine phosphate | URLYINUFLXOMHP-HTVVRFAVSA-N | 3CL pro |
| -8.6 | 6lzg | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6vxx | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB07564 | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | JUHXOBNFTFUPKQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB01030 | Topotecan | UCFGDBYHRUNTLO-QHCPKHFHSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6crv | DB07629 | N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-DLBZAZTESA-N | spike glycoprotein |
| -8.6 | 6m3m | DB03349 | 8-Bromo-Adenosine-5'-Monophosphate | DNPIJKNXFSPNNY-UUOKFMHZSA-N | nucleocapsid protein |
| -8.6 | 6lxt | DB11949 | Vestipitant | SBBYBXSFWOLDDG-JLTOFOAXSA-N | S2 unit |
| -8.6 | 6vxs | DB01149 | Nefazodone | VRBKIVRKKCLPHA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6vxs | DB01128 | Bicalutamide | LKJPYSCBVHEWIU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m71 | DB00137 | Lutein | KBPHJBAIARWVSC-RGZFRNHPSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m71 | DB13089 | Enoxolone | MPDGHEJMBKOTSU-YKLVYJNSSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB14859 | Fosifloxuridine nafalbenamide | BIOWRMNRHMERIO-ZVAHOJSLSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6m2n | DB08549 | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | MFDBNNQUDZFSES-KRWDZBQOSA-N | 3CL pro |
| -8.6 | 6m3m | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | nucleocapsid protein |
| -8.6 | 6w4b | DB12381 | Merestinib | QHADVLVFMKEIIP-UHFFFAOYSA-N | nsp9 |
| -8.6 | 6lxt | DB01338 | Pipecuronium | OWWLUIWOFHMHOQ-XGHATYIMSA-N | S2 unit |
| -8.6 | 6w4h | DB00693 | Fluorescein | GNBHRKFJIUUOQI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4b | DB12414 | Usistapide | WSYALRNYQFNNGP-WJOKGBTCSA-N | nsp9 |
| -8.6 | 7bv1 | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6m3m | DB15143 | PF-06650833 | JKDGKIBAOAFRPJ-ZBINZKHDSA-N | nucleocapsid protein |
| -8.6 | 6m3m | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | nucleocapsid protein |
| -8.6 | 6w4b | DB12669 | 4SC-203 | MAFACRSJGNJHCF-UHFFFAOYSA-N | nsp9 |
| -8.6 | 6w4h | DB00457 | Prazosin | IENZQIKPVFGBNW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB07444 | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE | PKPNSCZPIWCHMW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB08770 | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | PWTBZOIUWZOPFT-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6vxs | DB14896 | Selitrectinib | OEBIHOVSAMBXIB-SJKOYZFVSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6cs2 | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB15323 | Trelagliptin | IWYJYHUNXVAVAA-OAHLLOKOSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12524 | BI-671800 | XEOSTBFUCNZKGS-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB07584 | N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | OKGCSZUKOGMZAL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB15325 | ONO-8539 | ALLLQQUASFFEKP-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB01029 | Irbesartan | YOSHYTLCDANDAN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB02833 | [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine | DYTKVFHLKPDNRW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6lzg | DB00210 | Adapalene | LZCDAPDGXCYOEH-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4b | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | nsp9 |
| -8.6 | 6lxt | DB01260 | Desonide | WBGKWQHBNHJJPZ-LECWWXJVSA-N | S2 unit |
| -8.6 | 6lzg | DB14879 | Cefiderocol | DBPPRLRVDVJOCL-FQRUVTKNSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4h | DB04285 | {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid | GBLDYRVJENYQNH-AGLOJYHOSA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB08246 | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | WFFMEXQHWXEKBV-SFHVURJKSA-N | 3CL pro |
| -8.6 | 6m2n | DB12731 | Daporinad | KPBNHDGDUADAGP-VAWYXSNFSA-N | 3CL pro |
| -8.6 | 6crv | DB07067 | (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE | SQCDMTZMCHZYGO-FZMZJTMJSA-N | spike glycoprotein |
| -8.6 | 6m3m | DB13957 | J147 | HYMZAYGFKNNHDN-SSDVNMTOSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB15403 | Ziritaxestat | REQQVBGILUTQNN-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m2n | DB08142 | AT-7519 | OVPNQJVDAFNBDN-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6w4b | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | nsp9 |
| -8.6 | 7bv1 | DB08423 | [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | QKZZJXRGCHXIAI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lzg | DB14916 | Selonsertib | YIDDLAAKOYYGJG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6w4h | DB04186 | N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea | KLVYMYQTRZCMLE-CYBMUJFWSA-N | nsp16 - nsp10 |
| -8.6 | 6lzg | DB14934 | GDC-0927 | KJAAPZIFCQQQKX-NDEPHWFRSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6lzg | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB13944 | Testosterone enanthate | VOCBWIIFXDYGNZ-IXKNJLPQSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB06137 | KX-01 | HUNGUWOZPQBXGX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6m71 | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6lzg | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6m3m | DB14013 | SR-9009 | MMJJNHOIVCGAAP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6vxx | DB07267 | 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine | JONFDFIXMPXTRH-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6m2n | DB08304 | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | QZBQVXXESPXFPZ-QGZVFWFLSA-N | 3CL pro |
| -8.6 | 6w4h | DB05575 | Motesanib | RAHBGWKEPAQNFF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6cs2 | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | ACE2 area for S-protein binding |
| -8.6 | 6crv | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB11903 | GW842166 | TWQYWUXBZHPIIV-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB04882 | Edotecarin | QMVPQBFHUJZJCS-NTKFZFFISA-N | nsp16 - nsp10 |
| -8.6 | 6m2n | DB08213 | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE | PFAYCUAUBOGVDX-AWEZNQCLSA-N | 3CL pro |
| -8.6 | 6w4h | DB05171 | E-2012 | PUOAETJYKQITMO-LANLRWRYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB11922 | Danirixin | NGYNBSHYFOFVLS-LBPRGKRZSA-N | spike glycoprotein |
| -8.6 | 6crv | DB07826 | 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide | DTGVSZSMDOMAEB-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB04644 | 4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID | FCEMCUPAYRPTLS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6vxx | DB13023 | IPI-493 | XYFFWTYOFPSZRM-TWNAANEASA-N | spike glycoprotein |
| -8.6 | 6lxt | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6cs2 | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB15333 | AZD-1386 | FPGNKXCEPARJDI-ZDUSSCGKSA-N | S2 unit |
| -8.6 | 6w4h | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | nsp16 - nsp10 |
| -8.6 | 6vxx | DB11900 | OC-459 | FATGTHLOZSXOBC-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4h | DB05416 | Cardarine | YDBLKRPLXZNVNB-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6lxt | DB15385 | Acebilustat | GERJIEKMNDGSCS-DQEYMECFSA-N | S2 unit |
| -8.6 | 6crv | DB12832 | Prednimustine | HFVNWDWLWUCIHC-GUPDPFMOSA-N | spike glycoprotein |
| -8.6 | 6lzg | DB14840 | Ripretinib | CEFJVGZHQAGLHS-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 7bv1 | DB08096 | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM | ZWKOUFZHPNIQSH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6crv | DB11847 | Cadazolid | XWFCFMXQTBGXQW-GOSISDBHSA-N | spike glycoprotein |
| -8.6 | 7bv1 | DB08459 | 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile | SVMHTBVIPYVDIL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 7bv1 | DB02741 | CD564 | RWYREGSYPCNZTL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6w4h | DB06213 | Regadenoson | LZPZPHGJDAGEJZ-AKAIJSEGSA-N | nsp16 - nsp10 |
| -8.6 | 6cs2 | DB06732 | beta-Naphthoflavone | OUGIDAPQYNCXRA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6m2n | DB08365 | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide | XUAHLMVOYLUYSB-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m2n | DB08922 | Perospirone | FBVFZWUMDDXLLG-HDICACEKSA-N | 3CL pro |
| -8.6 | 6cs2 | DB06731 | Seproxetine | WIQRCHMSJFFONW-HNNXBMFYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6cs2 | DB07612 | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE | XQKJVNGGVLHNLA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB01320 | Fosphenytoin | XWLUWCNOOVRFPX-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6w4h | DB06347 | Cenisertib | KSOVGRCOLZZTPF-QMKUDKLTSA-N | nsp16 - nsp10 |
| -8.6 | 6w4h | DB03300 | Pterin Cytosine Dinucleotide | WKSPNQYEWZEMMI-FEFZDOOUSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB03534 | 3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide | AWTBJNJPBKTHEV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB15245 | Olorofim | SUFPWYYDCOKDLL-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 7bv1 | DB06999 | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | YZDJQTHVDDOVHR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB07183 | N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide | CPVRYQAOUPSUDO-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6crv | DB15305 | Risdiplam | ASKZRYGFUPSJPN-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxx | DB12408 | PF-03635659 | WGOJWDWKHJHXSV-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6wiq | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.6 | 6vxx | DB12417 | Anagliptin | LDXYBEHACFJIEL-HNNXBMFYSA-N | spike glycoprotein |
| -8.6 | 6cs2 | DB08770 | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol | PWTBZOIUWZOPFT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 7bv1 | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxs | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6lxt | DB01328 | Cefonicid | DYAIAHUQIPBDIP-AXAPSJFSSA-N | S2 unit |
| -8.6 | 7bv1 | DB08092 | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide | VMLSXFMXUNVCSK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6vxx | DB12985 | Quisinostat | PAWIYAYFNXQGAP-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB01259 | Lapatinib | BCFGMOOMADDAQU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6lxt | DB06733 | Bafilomycin A1 | XDHNQDDQEHDUTM-JQWOJBOSSA-N | S2 unit |
| -8.6 | 6m2n | DB14718 | Pyrazolam | BGRWSFIQQPVEML-UHFFFAOYSA-N | 3CL pro |
| -8.6 | 6m3m | DB01066 | Cefditoren | KMIPKYQIOVAHOP-YLGJWRNMSA-N | nucleocapsid protein |
| -8.6 | 6lzg | DB15039 | ITI-214 | BBIPVJCGIASXJB-PKTZIBPZSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6crv | DB07089 | N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide | VZSMTBLDWPKVRW-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6w4b | DB09280 | Lumacaftor | UFSKUSARDNFIRC-UHFFFAOYSA-N | nsp9 |
| -8.6 | 6w4h | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | nsp16 - nsp10 |
| -8.6 | 6m3m | DB01469 | Acetorphine | LFYBMMHFJIAKFE-PMEKXCSPSA-N | nucleocapsid protein |
| -8.6 | 6w4h | DB03921 | 4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline | IBCXZJCWDGCXQT-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6crv | DB07090 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE | NJNMAZNXKKBTPS-ZDUSSCGKSA-N | spike glycoprotein |
| -8.6 | 6vxs | DB01289 | Glisoxepide | ZKUDBRCEOBOWLF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.6 | 6w4h | DB06302 | Glesatinib | YRCHYHRCBXNYNU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.6 | 6lzg | DB15085 | Fulacimstat | JDARDSVOVYVQST-MRXNPFEDSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6crv | DB07851 | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | DQJXBZGPJVSWFI-ROUUACIJSA-N | spike glycoprotein |
| -8.6 | 6crv | DB12805 | Ataciguat | PQHLRGARXNPFCF-UHFFFAOYSA-N | spike glycoprotein |
| -8.6 | 6lxt | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lxt | DB07029 | 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE | QQBNDYARFVOEGW-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6lzg | DB15133 | Tepotinib | AHYMHWXQRWRBKT-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.6 | 6lxt | DB06732 | beta-Naphthoflavone | OUGIDAPQYNCXRA-UHFFFAOYSA-N | S2 unit |
| -8.6 | 7bv1 | DB07226 | N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE | JWZVNUNTFNELHL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.6 | 6cs2 | DB07613 | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole | SRSSTOPJERVMRZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.6 | 6lxt | DB11907 | Rociletinib | HUFOZJXAKZVRNJ-UHFFFAOYSA-N | S2 unit |
| -8.6 | 6m71 | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB06685 | Laquinimod | GKWPCEFFIHSJOE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB12706 | Seletalisib | LNLJHGXOFYUARS-OAQYLSRUSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB01411 | Pranlukast | NBQKINXMPLXUET-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08299 | 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid | QTNUWEKKZHSUQO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 1r42 | DB00872 | Conivaptan | IKENVDNFQMCRTR-UHFFFAOYSA-N | ACE2 area with important AAs |
| -8.5 | 6m71 | DB08248 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE | BKDUVKJYBJDZQW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB11943 | Delafloxacin | DYDCPNMLZGFQTM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12002 | AZD-4818 | HVTUHSABWJPWNK-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6wiq | DB15328 | Ubrogepant | DDOOFTLHJSMHLN-ZQHRPCGSSA-N | nsp7-nsp8 |
| -8.5 | 6vxs | DB04960 | Tipifarnib | PLHJCIYEEKOWNM-HHHXNRCGSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lxt | DB01501 | Difenoxin | UFIVBRCCIRTJTN-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB05035 | Eprotirome | VPCSYAVXDAUHLT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07211 | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE | YMJHMJLNQLVUAV-GHYUOPHCSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB01497 | Etorphine | CAHCBJPUTCKATP-HBDRVVKHSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07198 | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE | GGEKOZPXKBYLNK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB01622 | Thioproperazine | VZYCZNZBPPHOFY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB01406 | Danazol | POZRVZJJTULAOH-LHZXLZLDSA-N | S2 unit |
| -8.5 | 6m3m | DB05482 | 7-ethyl-10-hydroxycamptothecin | FJHBVJOVLFPMQE-QFIPXVFZSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB00846 | Flurandrenolide | POPFMWWJOGLOIF-XWCQMRHXSA-N | S2 unit |
| -8.5 | 6vxs | DB04908 | Flibanserin | PPRRDFIXUUSXRA-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB05015 | Belinostat | NCNRHFGMJRPRSK-MDZDMXLPSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB05038 | Anatibant | XUHBBTKJWIBQMY-MHZLTWQESA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB00398 | Sorafenib | MLDQJTXFUGDVEO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB07234 | 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione | MCBPNFWHHNJTGN-LLVKDONJSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB12380 | GDC-0152 | WZRFLSDVFPIXOV-LRQRDZAKSA-N | S2 unit |
| -8.5 | 6lxt | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | S2 unit |
| -8.5 | 6vxs | DB05590 | Bedoradrine | OANCEOSLKSTLTA-REWPJTCUSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08237 | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | COMPKRGNHXOXMN-GVDBMIGSSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB02545 | Fexaramine | VLQTUNDJHLEFEQ-KGENOOAVSA-N | S2 unit |
| -8.5 | 6m3m | DB06766 | Alcaftadine | MWTBKTRZPHJQLH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB05608 | MKC-1 | OVSKGTONMLKNPZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB05421 | CP-122721 | ZIWFCOIGUNPHPM-HKUYNNGSSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07123 | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | DVOLWKZEIDCCES-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB01336 | Metocurine | JFXBEKISTKFVAB-AJQTZOPKSA-N | S2 unit |
| -8.5 | 6m71 | DB08883 | Perampanel | PRMWGUBFXWROHD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB02033 | N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide | GDRNWAKVNIROCG-DEOSSOPVSA-N | S2 unit |
| -8.5 | 6m71 | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08827 | Lomitapide | MBBCVAKAJPKAKM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08822 | Azilsartan medoxomil | QJFSABGVXDWMIW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12141 | Gilteritinib | GYQYAJJFPNQOOW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB02123 | Glycochenodeoxycholic Acid | GHCZAUBVMUEKKP-GYPHWSFCSA-N | S2 unit |
| -8.5 | 7bv1 | DB08055 | N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | NNBICZMPIJMWGC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08747 | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one | JJTPPGUNMJMPLY-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12130 | Lorlatinib | IIXWYSCJSQVBQM-LLVKDONJSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB01393 | Bezafibrate | IIBYAHWJQTYFKB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB01720 | (2z)-2-(Benzoylamino)-3-[4-(2-Bromophenoxy)Phenyl]-2-Propenoic Acid | WLPJLQNKCJWAFL-RGEXLXHISA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB06899 | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | RMEVNJZCKDVVND-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB08657 | 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID | SSXCWVOQWRUMGN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB14765 | Rivoceranib | WPEWQEMJFLWMLV-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB13756 | Peruvoside | PMTSPAGBAFCORP-HBUONDEYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB06207 | Silodosin | PNCPYILNMDWPEY-QGZVFWFLSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB11275 | Epicriptine | SBFXHXZNBNFPHV-PXXBSISHSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB09231 | Benidipine | QZVNQOLPLYWLHQ-ZEQKJWHPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB06266 | Lonidamine | WDRYRZXSPDWGEB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB00496 | Darifenacin | HXGBXQDTNZMWGS-RUZDIDTESA-N | S2 unit |
| -8.5 | 6m71 | DB12272 | Vidupiprant | PFWVGKROPKKEDW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB06313 | BNC105 | MYDHDVLPMRNDAZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB06967 | 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE | MLSVRCGEBXIIQO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB01908 | RU85493 | MWEWSHNGVWABKG-SVBPBHIXSA-N | S2 unit |
| -8.5 | 6m71 | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB01588 | Prazepam | MWQCHHACWWAQLJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12297 | GLPG-0187 | CXHCNOMGODVIKB-VWLOTQADSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB12267 | Brigatinib | AILRADAXUVEEIR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB01267 | Paliperidone | PMXMIIMHBWHSKN-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB12222 | Lurtotecan | RVFGKBWWUQOIOU-NDEPHWFRSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB00796 | Candesartan cilexetil | GHOSNRCGJFBJIB-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB11832 | Crenolanib | DYNHJHQFHQTFTP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB13499 | Cefsulodin | SYLKGLMBLAAGSC-QLVMHMETSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB06153 | Pizotifen | FIADGNVRKBPQEU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB01450 | Dihydroetorphine | BRTSNYPDACNMIP-FAWZKKEFSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB04960 | Tipifarnib | PLHJCIYEEKOWNM-HHHXNRCGSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB06834 | N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide | XZRYCTLOGNCQDG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07146 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE | QUIQCYFSBGOBKE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB00836 | Loperamide | RDOIQAHITMMDAJ-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6lxt | DB01640 | (5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One | QNURTFDBHAQRSI-OAHLLOKOSA-N | S2 unit |
| -8.5 | 6m3m | DB07154 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE | SWKGZJAAGSVROJ-MWLCHTKSSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB11424 | Lufenuron | PWPJGUXAGUPAHP-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxs | DB05482 | 7-ethyl-10-hydroxycamptothecin | FJHBVJOVLFPMQE-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxs | DB05039 | Indacaterol | QZZUEBNBZAPZLX-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB11796 | Fostemsavir | SWMDAPWAQQTBOG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12588 | AZD-1480 | PDOQBOJDRPLBQU-QMMMGPOBSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB05695 | NPS-2143 | PZUJQWHTIRWCID-HXUWFJFHSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB01586 | Ursodeoxycholic acid | RUDATBOHQWOJDD-UZVSRGJWSA-N | S2 unit |
| -8.5 | 6m71 | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB00701 | Amprenavir | YMARZQAQMVYCKC-OEMFJLHTSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB00977 | Ethinylestradiol | BFPYWIDHMRZLRN-SLHNCBLASA-N | S2 unit |
| -8.5 | 6lxt | DB00421 | Spironolactone | LXMSZDCAJNLERA-ZHYRCANASA-N | S2 unit |
| -8.5 | 6m71 | DB08426 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | PLXOQMHGHDZMSX-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08437 | Puromycin | RXWNCPJZOCPEPQ-NVWDDTSBSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB12474 | Lynestrenol | YNVGQYHLRCDXFQ-XGXHKTLJSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB02259 | 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide | VSYGXLAJQDAWCZ-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB01535 | Carfentanil | YDSDEBIZUNNPOB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | S2 unit |
| -8.5 | 6m3m | DB06133 | Dimethylcurcumin | ZMGUKFHHNQMKJI-CIOHCNBKSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB12116 | Epigallocatechin gallate | WMBWREPUVVBILR-WIYYLYMNSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB11769 | Funapide | NEBUOXBYNAHKFV-NRFANRHFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB09034 | Suvorexant | JYTNQNCOQXFQPK-MRXNPFEDSA-N | S2 unit |
| -8.5 | 6m3m | DB06873 | 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE | CSXNPJKDZKLDET-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB12522 | Toreforant | FCRFVPZAXGJLPW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB06870 | 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE | OXHNQTSIKGHVBH-ANULTFPQSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB11430 | Monensin | GAOZTHIDHYLHMS-KEOBGNEYSA-N | S2 unit |
| -8.5 | 6lxt | DB00997 | Doxorubicin | AOJJSUZBOXZQNB-TZSSRYMLSA-N | S2 unit |
| -8.5 | 6m3m | DB06866 | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID | NMOUMGFCBOWPAB-RZUBCFFCSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB06471 | Naxifylline | NJYNSYQBNSDGIQ-RDDCQWBRSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB08454 | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | JYCUVOXSZBECAY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lu7 | DB11904 | Flumatinib | BJCJYEYYYGBROF-UHFFFAOYSA-N | Replicase polyprotein 1ab |
| -8.5 | 6m71 | DB08546 | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | CETLUACQMGBMFH-ZALSBGIRSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB11987 | GSK-2018682 | NFIGDBFIDKDNIG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB07605 | 2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE | DHDQMXPAANQKDC-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6lxt | DB02691 | Glycocholic acid | RFDAIACWWDREDC-FRVQLJSFSA-M | S2 unit |
| -8.5 | 7bv1 | DB07284 | N-3-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE | NQSBHBFOOVYRNM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB06955 | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | OAMCCJASDLMTOO-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxs | DB01184 | Domperidone | FGXWKSZFVQUSTL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB15052 | Ansofaxine | QKYBZJLEMOZFFU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB06945 | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide | FOSWRYKPHVPIDJ-UHFFFAOYSA-N | S2 unit |
| -8.5 | 7bv1 | DB13384 | Melitracen | GWWLWDURRGNSRS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxs | DB02547 | Guanosine-5'-Diphosphate-Rhamnose | LQEBEXMHBLQMDB-GDJBGNAASA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB02554 | Sulfoquinovose-Uridine-C1,5'-Diphosphate | FQANCGQCBCUSMI-JZMIEXBBSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB15126 | IMG-7289 | KQKBMHGOHXOHTD-KKUQBAQOSA-N | nucleocapsid protein |
| -8.5 | 6crv | DB15324 | ORM-13070 C-11 | VGIYMYGMVXPMKV-GWDMYEQXSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB01067 | Glipizide | ZJJXGWJIGJFDTL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB08990 | Eprazinone | BSHWLCACYCVCJE-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB08044 | ABT-341 | NVVSPGQEXMJZIR-BMIGLBTASA-N | S2 unit |
| -8.5 | 6m3m | DB15316 | Florasulam | QZXATCCPQKOEIH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB15324 | ORM-13070 C-11 | VGIYMYGMVXPMKV-GWDMYEQXSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB15338 | Rovatirelin | WTXWDXWZGJGIHV-URBCHYCLSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB15360 | Carfentanil, C-11 | YDSDEBIZUNNPOB-JVVVGQRLSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB00972 | Azelastine | MBUVEWMHONZEQD-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB02545 | Fexaramine | VLQTUNDJHLEFEQ-KGENOOAVSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB15425 | CYC-065 | DLPIYBKBHMZCJI-WBVHZDCISA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB03376 | '5'-O-(N-(L-Alanyl)-Sulfamoyl)Adenosine | CWWYMWDIYBJVLP-YTMOPEAISA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB09173 | Butyrfentanyl | QQOMYEQLWQJRKK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB14543 | Hydrocortisone probutate | FOGXJPFPZOHSQS-AYVLZSQQSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB14544 | Hydrocortisone valerate | FZCHYNWYXKICIO-FZNHGJLXSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB07941 | PH-797804 | KCAJXIDMCNPGHZ-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxs | DB02432 | RU90395 | RLLAUERCSKPFGD-VMPREFPWSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB09488 | Acrivastine | PWACSDKDOHSSQD-IUTFFREVSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB09285 | Morniflumate | LDXSPUSKBDTEKA-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB09274 | Artesunate | FIHJKUPKCHIPAT-AHIGJZGOSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB00969 | Alosetron | JSWZEAMFRNKZNL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB09262 | Imidafenacin | SQKXYSGRELMAAU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB14668 | Dienestrol diacetate | YWLLGDVBTLPARJ-OXAZHYLESA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB14672 | Oxazepam acetate | FYRWUTOZBRWYCS-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB03472 | Cyclohexyl-Hexyl-Beta-D-Maltoside | WUCWJXGMSXTDAV-QKMCSOCLSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB09201 | Ciglitazone | YZFWTZACSRHJQD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB03467 | Naringenin | FTVWIRXFELQLPI-ZDUSSCGKSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB02491 | 4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine | CJSSYVIHFXDFFC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lxt | DB11795 | GSK-2636771 | XTKLTGBKIDQGQL-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxs | DB02505 | N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl) | JJVQUUYZGJWBPW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB09179 | R-30490 | GARXJOUQUSNOGK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB00962 | Zaleplon | HUNXMJYCHXQEGX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB08073 | (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | YWTBGJGMTBHQTM-IBGZPJMESA-N | S2 unit |
| -8.5 | 6wiq | DB11977 | Golvatinib | UQRCJCNVNUFYDX-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.5 | 6lxt | DB06677 | Clazosentan | LFWCJABOXHSRGC-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB00693 | Fluorescein | GNBHRKFJIUUOQI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB00700 | Eplerenone | JUKPWJGBANNWMW-VWBFHTRKSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB08702 | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | QPKYPOMZPFDBEZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB00948 | Mezlocillin | YPBATNHYBCGSSN-VWPFQQQWSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB08191 | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | KSFDVNIKNYXUIP-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB08670 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE | WIWZNHHLFMPGGO-PIKADFDJSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB08660 | 1,2,5,8-tetrahydroxyanthracene-9,10-dione | VBHKTXLEJZIDJF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB08657 | 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID | SSXCWVOQWRUMGN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB06558 | Tezosentan | TUYWTLTWNJOZNY-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB01167 | Itraconazole | VHVPQPYKVGDNFY-ZPGVKDDISA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB03124 | 5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid | LBAHOXPDTNUYCX-INIZCTEOSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB03121 | (1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid | ZEKCBTQHDTUHRJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB01215 | Estazolam | CDCHDCWJMGXXRH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6wiq | DB11691 | Naldemedine | AXQACEQYCPKDMV-RZAWKFBISA-N | nsp7-nsp8 |
| -8.5 | 6vxs | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6cs2 | DB01218 | Halofantrine | FOHHNHSLJDZUGQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB00694 | Daunorubicin | STQGQHZAVUOBTE-VGBVRHCVSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB00820 | Tadalafil | WOXKDUGGOYFFRN-IIBYNOLFSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB04460 | (C8-S)-Hydantocidin 5'-Phosphate | MAXSFYCTFIBEAR-FUIMDIGMSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB06680 | Asoprisnil | GJMNAFGEUJBOCE-MEQIQULJSA-N | S2 unit |
| -8.5 | 6lxt | DB11789 | Hyodeoxycholic Acid | DGABKXLVXPYZII-SIBKNCMHSA-N | S2 unit |
| -8.5 | 6m71 | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB15096 | 18-methoxycoronaridine | DTJQBBHYRQYDEG-SVBQBFEESA-N | spike glycoprotein |
| -8.5 | 6lxt | DB08080 | LATRUNCULIN B | NSHPHXHGRHSMIK-JRIKCGFMSA-N | S2 unit |
| -8.5 | 6m3m | DB08873 | Boceprevir | LHHCSNFAOIFYRV-DOVBMPENSA-N | nucleocapsid protein |
| -8.5 | 6crv | DB15360 | Carfentanil, C-11 | YDSDEBIZUNNPOB-JVVVGQRLSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB12459 | Belotecan | LNHWXBUNXOXMRL-VWLOTQADSA-N | S2 unit |
| -8.5 | 7bv1 | DB11759 | Pevonedistat | MPUQHZXIXSTTDU-QXGSTGNESA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB04430 | 3-(4-Phenylamino-Phenylamino)-2-(1h-Tetrazol-5-Yl)-Acrylonitrile | FLPLCJJGNZGOAW-QXMHVHEDSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB07027 | D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide | JGZSVYZIJHGHMA-MOPGFXCFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB06777 | Chenodeoxycholic acid | RUDATBOHQWOJDD-BSWAIDMHSA-N | S2 unit |
| -8.5 | 6m3m | DB03247 | Flavin mononucleotide | FVTCRASFADXXNN-SCRDCRAPSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB00823 | Ethynodiol diacetate | ONKUMRGIYFNPJW-KIEAKMPYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB15075 | 4-demethyl-4-cholesteryloxycarbonylpenclomedine | ZJUUIXYKTPSIOH-LEZJFEBPSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB12858 | LY-377604 | RBSGUQYXRDKPAE-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB00549 | Zafirlukast | YEEZWCHGZNKEEK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB08761 | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione | NGPCLOGFGKJCBP-HOTGVXAUSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB08743 | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE | XJNKUWDMCBZMTG-OAHLLOKOSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB00606 | Cyclothiazide | BOCUKUHCLICSIY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB08736 | S,R-Warfarin alcohol | ZUJMMGHIYSAEOU-DOMZBBRYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB06746 | ginkgolide-J | LMEHVEUFNRJAAV-UKWFQYJJSA-N | S2 unit |
| -8.5 | 6vxs | DB00673 | Aprepitant | ATALOFNDEOCMKK-OITMNORJSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB14232 | Deacetylbisacodyl | LJROKJGQSPMTKB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB07022 | 3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate | PXERBGNIBOFZOW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB07453 | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | VFMMPHCGEFXGIP-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6cs2 | DB15187 | Dubermatinib | YUAALFPUEOYPNX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB12774 | AZD-8055 | KVLFRAWTRWDEDF-IRXDYDNUSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB07729 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | GAKOBKPDJJGRIL-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB12072 | Orantinib | NHFDRBXTEDBWCZ-ZROIWOOFSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB12070 | Letermovir | FWYSMLBETOMXAG-QHCPKHFHSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB15193 | BMS-955176 | XDMUFNNPLXHNKA-ZTESCHFWSA-N | ACE2 area for S-protein binding |
| -8.5 | 7bv1 | DB06827 | Viomycin | GXFAIFRPOKBQRV-GHXCTMGLSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB12846 | Reproterol | WVLAAKXASPCBGT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6crv | DB15224 | Lisavanbulin | NIPZLALJRAHABJ-IBGZPJMESA-N | spike glycoprotein |
| -8.5 | 6vxs | DB01764 | Dalfopristin | SUYRLXYYZQTJHF-VMBLUXKRSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB06844 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE | MBXKBJLIESPLIK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB12896 | PSI-352938 | PVRFQJIRERYGTQ-DSQUMVBZSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB12921 | Chlorsulfaquinoxaline | CTSNHMQGVWXIEG-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB15209 | MK-0736 | ORQZQBUNAMJFCY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB12039 | Epicatechin | PFTAWBLQPZVEMU-UKRRQHHQSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB07410 | [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | BYVXAUZOTGITQZ-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6cs2 | DB15219 | Tomivosertib | HKTBYUWLRDZAJK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB00991 | Oxaprozin | OFPXSFXSNFPTHF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6wiq | DB11852 | Tegobuvir | XBEQSQDCBSKCHJ-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.5 | 7bv1 | DB12966 | Falnidamol | FTFRZXFNZVCRSK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB15177 | VX-659 | IGEOJNMYRZUKIK-IBGZPJMESA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB12161 | Deutetrabenazine | MKJIEFSOBYUXJB-WEZHFFAMSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | S2 unit |
| -8.5 | 6m3m | DB03987 | 2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine | XWCCXDBXMCTZPW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB03980 | 4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole | DFEYXQGDDCDXJK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB12293 | Nefopam | RGPDEAGGEXEMMM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB07630 | N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE | ARPFWVKYXJZULB-IAGOWNOFSA-N | S2 unit |
| -8.5 | 6m3m | DB12275 | Seviteronel | ZBRAJOQFSNYJMF-SFHVURJKSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB12443 | Sonedenoson | WUCQGGOGHZRELS-LSCFUAHRSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB11830 | Mocetinostat | HRNLUBSXIHFDHP-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB12254 | ABT-751 | URCVCIZFVQDVPM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB12233 | Iguratimod | ANMATWQYLIFGOK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB12230 | Bunazosin | RHLJLALHBZGAFM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6wiq | DB11399 | Dirlotapide | TUOSYWCFRFNJBS-BHVANESWSA-N | nsp7-nsp8 |
| -8.5 | 6m3m | DB12545 | Indobufen | AYDXAULLCROVIT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB12204 | Terbogrel | XUTLOCQNGLJNSA-RGVLZGJSSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB07493 | (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE | IEQQJQHHJMQETK-YPKPFQOOSA-N | S2 unit |
| -8.5 | 6vxs | DB02059 | Adenosine-5-Diphosphoribose | SRNWOUGRCWSEMX-ZQSHOCFMSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB12675 | PF-04995274 | WLLOFQROROXOMO-GOSISDBHSA-N | nucleocapsid protein |
| -8.5 | 6crv | DB15186 | GDC-0084 | LGWACEZVCMBSKW-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB15169 | H3B-6527 | MBWRLLRCTIYXDW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB15229 | CNV-2197944 | BLFJGFDZMABYMY-ZDUSSCGKSA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB15028 | MK-1064 | CKTWQGHVNRYNCM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6wiq | DB07837 | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid | SWXKLXXVFMYMDP-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.5 | 6lxt | DB07159 | Tamatinib | NHHQJBCNYHBUSI-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB11774 | Pazufloxacin | XAGMUUZPGZWTRP-ZETCQYMHSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB11764 | Spebrutinib | KXBDTLQSDKGAEB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | S2 unit |
| -8.5 | 6m3m | DB11763 | Momelotinib | ZVHNDZWQTBEVRY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB11739 | Vonoprazan | BFDBKMOZYNOTPK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB11721 | Mitoglitazone | IRNJSRAGRIZIHD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB06983 | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol | RBLKWWBHDUBPFN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB07827 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID | FLTYDFYSVZBKOB-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6lxt | DB07830 | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE | DIRIFWIKLRTNMB-DYVFJYSZSA-N | S2 unit |
| -8.5 | 6m3m | DB13821 | Ceftezole | DZMVCVMFETWNIU-LDYMZIIASA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB01059 | Norfloxacin | OGJPXUAPXNRGGI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB07000 | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | ILXJWLWSYAWJKZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB13988 | SB-269970 | HWKROQUZSKPIKQ-MRXNPFEDSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB15367 | LY-2623091 | YPCLDHGBEKZGEB-RUDKWAFVSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB01349 | Tasosartan | ADXGNEYLLLSOAR-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB14008 | Hispidulin | IHFBPDAQLQOCBX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB12888 | Ezutromid | KSGCNXAZROJSNW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB04215 | CRA_9076 | BVTBOJXEAPSOEB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB13605 | Phenoperidine | IPOPQVVNCFQFRK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB11901 | Apalutamide | HJBWBFZLDZWPHF-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB13579 | Mepixanox | PYSOHOOUXFWCFF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB12910 | Emicerfont | JFHJGXQFESYQGY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB07395 | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | NWQGDIBCFLDHDO-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB11990 | MK-0812 | UNVWTBOGMHPKJM-CWKRKGSWSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB11966 | BMS-986094 | YFXGICNMLCGLHJ-RSKRLRQZSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB13083 | Talarozole | SNFYYXUGUBUECJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB11961 | AZD-1236 | SFJFBTPHDHUUPU-OAHLLOKOSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB07778 | FAMOXADONE | PCCSBWNGDMYFCW-QFIPXVFZSA-N | S2 unit |
| -8.5 | 7bv1 | DB06886 | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL | MACLRJNEKXUAJK-YDLSIGKMSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB07786 | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | SMFRBBHLVBWHGB-DJJJIMSYSA-N | S2 unit |
| -8.5 | 6m3m | DB14213 | Perindoprilat | ODAIHABQVKJNIY-PEDHHIEDSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB13125 | Lusutrombopag | NOZIJMHMKORZBA-KJCUYJGMSA-N | nucleocapsid protein |
| -8.5 | 6crv | DB15169 | H3B-6527 | MBWRLLRCTIYXDW-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m3m | DB13317 | Flunoxaprofen | ARPYQKTVRGFPIS-VIFPVBQESA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB13333 | Efloxate | ZVXBAHLOGZCFTP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB15281 | Ravoxertinib | RZUOCXOYPYGSKL-GOSISDBHSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB13463 | Oxetorone | VZVRZTZPHOHSCK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB13482 | Dimefline | ZXFQRFXLFWWKLX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB03656 | Tribenuron Methyl | VLCQZHSMCYCDJL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB13553 | Carumonam | UIMOJFJSJSIGLV-JNHMLNOCSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB03626 | 5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione | JRPJCFILHCLEJI-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB13132 | Artemisinin | BLUAFEHZUWYNDE-NNWCWBAJSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB08031 | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | LNQWELVSNCYKDU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB08580 | 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline | JEGGWFHNKPRKTO-CQSZACIVSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB06367 | Relacatib | BWYBBMQLUKXECQ-GIVPXCGWSA-N | S2 unit |
| -8.5 | 6m3m | DB01215 | Estazolam | CDCHDCWJMGXXRH-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB04768 | Pyrithiamine Pyrophosphate | ZHKSTKOYQKNDSJ-UHFFFAOYSA-O | nucleocapsid protein |
| -8.5 | 6m3m | DB02307 | N-(1-Carboxy-3-Phenylpropyl)Phenylalanyl-Alpha-Asparagine | FOJUHLDAXGNCIP-FHWLQOOXSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB06746 | ginkgolide-J | LMEHVEUFNRJAAV-UKWFQYJJSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB06886 | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL | MACLRJNEKXUAJK-YDLSIGKMSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB07561 | (2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide | RPILZQUCBKIPAZ-AQTBWJFISA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB14067 | Dofequidar | KLWUUPVJTLHYIM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB04772 | 1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE | DSVCYWOHJLRGMK-PMACEKPBSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07547 | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID | RYXAHMSZLLIPRO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB06997 | 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide | BMPOCDJEXAXXEZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07000 | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | ILXJWLWSYAWJKZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB07534 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | BKUMVXIXUVYKDQ-GHXNOFRVSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB07042 | 7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide | XESUNWBIAADLPI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB07533 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE | FJJJERLTHDXEPT-JYRVWZFOSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB07522 | N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE | QSSWSEQPKCCATQ-VQTJNVASSA-N | nucleocapsid protein |
| -8.5 | 6wiq | DB12323 | Radotinib | DUPWHXBITIZIKZ-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.5 | 6m3m | DB02205 | 6-(1,1-Dimethylallyl)-2-(1-Hydroxy-1-Methylethyl)-2,3-Dihydro-7h-Furo[3,2-G]Chromen-7-One | JCDLLLXYAICSQV-INIZCTEOSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB06521 | Ertiprotafib | FONCZICQWCUXEB-RUZDIDTESA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB01238 | Aripiprazole | CEUORZQYGODEFX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB12561 | WNT-974 | XXYGTCZJJLTAGH-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB06393 | Xaliproden | WJJYZXPHLSLMGE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | S2 unit |
| -8.5 | 6cs2 | DB14152 | Ginsenosides | NLHQJXWYMZLQJY-SWIZOJJJSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m71 | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB05812 | Abiraterone | GZOSMCIZMLWJML-VJLLXTKPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB05944 | Varlitinib | UWXSAYUXVSFDBQ-CYBMUJFWSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB15192 | ABT-288 | GNIRITULTPTAQW-KNQAVFIVSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB07788 | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE | NEQZWEXWOFPKOT-QHSZRYGNSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB04190 | Inhibitor Bea425 | AHAVBKNGKPWROK-UMFPTGFGSA-N | S2 unit |
| -8.5 | 6m71 | DB15190 | GLPG-0259 | YBFGSJUVEOYPIS-OALUTQOASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB00842 | Oxazepam | ADIMAYPTOBDMTL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB02427 | 2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline | YBJANOUTWRTBDK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB15189 | Birabresib | GNMUEVRJHCWKTO-FQEVSTJZSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB00839 | Tolazamide | OUDSBRTVNLOZBN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB11745 | Otenabant | UNAZAADNBYXMIV-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB04750 | OREGON GREEN 488 CARBOXYLATE | BRJCLSQFZSHLRL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB03944 | 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One | IZLRMTJLQCLMKF-CYBMUJFWSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB02367 | (1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine | ULDXUWXTVRRUND-SWLSCSKDSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB04023 | Guanosine 5'-(Trihydrogen Diphosphate), P'-D-Mannopyranosyl Ester | DNBSDUDYNPJVCN-ZXTXFPBHSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB02363 | 2'-Monophosphoadenosine-5'-Diphosphate | YPTPYQSAVGGMFN-KQYNXXCUSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB11796 | Fostemsavir | SWMDAPWAQQTBOG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | OWXORKPNCHJYOF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07127 | {4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID | SXDBFKLPNPUPRI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB03104 | RU82129 | NKMPOVPTYDXGEC-MNRBYUMSSA-N | S2 unit |
| -8.5 | 6lxt | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | S2 unit |
| -8.5 | 6m3m | DB02014 | 5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid | QKHWJUMLYAYZFS-ONEGZZNKSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07322 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | RRXVUYHFDBLTEL-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB07800 | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | MIJGLXFQYBTIFY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07848 | 5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide | BHNMMFGOJRIAEZ-LRDDRELGSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB01960 | 7n-Methyl-8-Hydroguanosine-5'-Diphosphate | QQODJOAVWUWVHJ-KQYNXXCUSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07290 | (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE | LUCFRFDOOYLALP-CYBMUJFWSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07283 | 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid | VDOXYKGIKBUISK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB07278 | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE | ACEFOQMQINFMRW-DYCFVMESSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB07978 | 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID | ULMUPVXFUDHRGH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB14725 | Cefamandole nafate | RRJHESVQVSRQEX-SUYBPPKGSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07991 | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | APLJSSOXDWUNGV-GOSISDBHSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB14723 | Larotrectinib | NYNZQNWKBKUAII-KBXCAEBGSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08000 | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE | ZTJGXDGAXGWOGR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxs | DB04575 | Quinestrol | PWZUUYSISTUNDW-VAFBSOEGSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB14676 | Fagrocorat | QJJBNCHSWFGXML-KEKPKEOLSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB04833 | Methaqualone | JEYCTXHKTXCGPB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB04432 | ZK-805623 | ZXIHYCYAQUQHSG-UHFFFAOYSA-O | ribose phosphatase of NSP3 |
| -8.5 | 6lxt | DB08903 | Bedaquiline | QUIJNHUBAXPXFS-XLJNKUFUSA-N | S2 unit |
| -8.5 | 6m3m | DB02071 | WAY-151693 | AINJYWXKBKRQSX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB00817 | Rosoxacin | XBPZXDSZHPDXQU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB07142 | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | ATFDKOLABYIYCC-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07152 | N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide | TYPILNNEZPSNTI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB07504 | (2R)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol | MEIJADBULOETOV-QGZVFWFLSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB12158 | Filorexant | NPFDWHQSDBWQLH-QZTJIDSGSA-N | S2 unit |
| -8.5 | 6m3m | DB07489 | 4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium | WWGPTHOMFHDEEC-UHFFFAOYSA-O | nucleocapsid protein |
| -8.5 | 6m71 | DB07321 | 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE | KOKQLKWXOFRTHE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07396 | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | KAJJGOCSAXKXBD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB04452 | Aminoquinuride | HOUSDILKOJMENG-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB07406 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE | QWFFPYQWUWLDBV-NSHDSACASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB00808 | Indapamide | NDDAHWYSQHTHNT-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB03367 | PF-00356231 | VMTJQZUZINLEKC-JOCHJYFZSA-N | S2 unit |
| -8.5 | 6lxt | DB08875 | Cabozantinib | ONIQOQHATWINJY-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m71 | DB07457 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | APYXQTXFRIDSGE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB07460 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE | UYJNQQDJUOUFQJ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB11732 | Lasmiditan | XEDHVZKDSYZQBF-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6lxt | DB12180 | Apitolisib | YOVVNQKCSKSHKT-HNNXBMFYSA-N | S2 unit |
| -8.5 | 6m3m | DB02082 | Phosphoaminophosphonic Acid Guanylate Ester | UQABYHGXWYXDTK-UUOKFMHZSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB04392 | Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone] | HIZKPJUTKKJDGA-BETUJISGSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB14889 | Derazantinib | KPJDVVCDVBFRMU-AREMUKBSSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB03039 | 4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide | KEGUALXMKQVDIO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB08557 | 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide | XQKFKSJUBJPOLY-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6lxt | DB04575 | Quinestrol | PWZUUYSISTUNDW-VAFBSOEGSA-N | S2 unit |
| -8.5 | 6crv | DB15440 | GSK-3117391 | AFDPFLDWOXXHQM-NRFANRHFSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB03124 | 5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid | LBAHOXPDTNUYCX-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lxt | DB12025 | Triptolide | DFBIRQPKNDILPW-CIVMWXNOSA-N | S2 unit |
| -8.5 | 6lxt | DB08366 | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | XADCWKSMHQPTGH-OFBLZTNGSA-N | S2 unit |
| -8.5 | 6lxt | DB05838 | OPC-51803 | INGXCNVWWKKWOO-LJQANCHMSA-N | S2 unit |
| -8.5 | 6m3m | DB08401 | (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID | LDNKNKRRFZRLIG-HWQJWEFDSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB14626 | Pregnenolone acetate | CRRKVZVYZQXICQ-RJJCNJEVSA-N | ACE2 area for S-protein binding |
| -8.5 | 6lxt | DB08391 | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | UBIIFKJMNRPNMT-CQSZACIVSA-N | S2 unit |
| -8.5 | 6m71 | DB02705 | 6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | DARQQJKHXPXSRO-QFIPXVFZSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB02848 | {4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol | ZJESXGUODSBHSK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6crv | DB01470 | alpha-methylthiofentanyl | YPOXDUYRRSUFFG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB02833 | [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine | DYTKVFHLKPDNRW-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB08307 | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE | PMHVFNYNPNKNRO-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB05424 | Canertinib | OMZCMEYTWSXEPZ-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB02812 | (2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide | VXDAVYUFYPFGDX-SNPRPXQTSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB02473 | 6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | XRHANBWAKSYPEN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB08208 | 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE | AMNKRBRQQAMACZ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB02887 | 2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Triphosphate | ODSQODTUNULBHF-JGVFFNPUSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB02338 | Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate | ACFIXJIJDZMPPO-NNYOXOHSSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB01830 | {4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid | SPSGYTWOIGAABK-DQEYMECFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB01861 | Uridine diphosphate glucose | HSCJRCZFDFQWRP-JZMIEXBBSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB08339 | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | ZIQFYVPVJZEOFS-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB08540 | 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER | AQJQFCRTSWIUCY-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB06350 | Elinogrel | LGSDFTPAICUONK-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB03010 | Patupilone | QXRSDHAAWVKZLJ-PVYNADRNSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB08530 | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | QFSMMXJBEBXTJP-UHFFFAOYSA-O | nucleocapsid protein |
| -8.5 | 6m3m | DB08514 | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | IQKMJWDYMFWZRF-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 1r42 | DB02483 | Etheno-Nad | JCDBQDNBEQHDHK-BSLNIGMPSA-N | ACE2 area with important AAs |
| -8.5 | 6lxt | DB08350 | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE | GYQRHHQPEMOLKH-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6cs2 | DB01254 | Dasatinib | ZBNZXTGUTAYRHI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6wiq | DB12054 | BQ-123 | VYCMAAOURFJIHD-PJNXIOHISA-N | nsp7-nsp8 |
| -8.5 | 6m71 | DB02164 | N-Sulfo-Flavin Mononucleotide | ZLPUGFBBLGQWBS-SCRDCRAPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB02194 | 8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One | ULLMMKZQNNBLRN-SANMLTNESA-N | nsp12-nsp7-nsp8 |
| -8.5 | 1r42 | DB02449 | 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid | ULOTXPTWJAUGGE-MHZLTWQESA-N | ACE2 area with important AAs |
| -8.5 | 6m3m | DB08485 | (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID | QMNMNSINKIFYBV-LMMKCTJWSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB07430 | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | CMWRPDHVGMHLSZ-GFCCVEGCSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB08470 | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole | KMGPJKOKSYGMJD-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB05990 | Obeticholic acid | ZXERDUOLZKYMJM-ZWECCWDJSA-N | S2 unit |
| -8.5 | 6m3m | DB02766 | (3r)-3-{[(Benzyloxy)Carbonyl]Amino}-2-Oxo-4-Phenylbutane-1-Diazonium | VLIGBVLLNSWVMI-MRXNPFEDSA-O | nucleocapsid protein |
| -8.5 | 6m71 | DB03358 | 7n-Methyl-8-Hydroguanosine-5'-Triphosphate | BUJQMJUTTBGELS-KQYNXXCUSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB03447 | Uridylyl-2'-5'-Phospho-Adenosine | QARCCHXXGAIRFS-KPKSGTNCSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6wiq | DB08384 | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline | RQDDHVVAAJVVKM-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.5 | 6m3m | DB08046 | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide | JIVPVXMEBJLZRO-AWEZNQCLSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB04424 | RPR128515 | XFKVLKLCLYJKNF-MZNJEOGPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB08035 | 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | QUPXEJURIFFVSX-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB04716 | 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE | VNDWQCSOSCCWIP-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB02596 | Alpha,Beta-Methyleneadenosine-5'-Triphosphate | CAWZRIXWFRFUQB-IOSLPCCCSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB04612 | N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | QKPXPZYQPBWDHS-MCJAPYMPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB04698 | N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE | HJWYZPGYPZNDTN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB15282 | Fluorofuranylnorprogesterone F-18 | VJKRBRUNEOHPBS-JQKUZGBFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB02559 | 6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine | HDQIGGQUKAQTGU-SZTTVXCBSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB15273 | VS-4718 | IGUBBWJDMLCRIK-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB15266 | TAK-580 | VWMJHAFYPMOMGF-ZCFIWIBFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB07937 | 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine | UGZWPZWADDDTRN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB04612 | N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | QKPXPZYQPBWDHS-MCJAPYMPSA-N | S2 unit |
| -8.5 | 6m3m | DB07920 | N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide | OGRPZMQLAVBWPV-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB15257 | Milademetan | RYAYYVTWKAOAJF-QISPRATLSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6lxt | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | S2 unit |
| -8.5 | 6m3m | DB08054 | 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | GEZALMMCQYDFML-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6wiq | DB08386 | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline | VRWJZGHUCOFGPZ-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.5 | 6m3m | DB02611 | Balanol Analog 1 | FZJQHARRQUNVGZ-QZTJIDSGSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB08077 | 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID | OYJPTSMWFKGZJM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB08179 | methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate | BLXSEOJIXHWXQJ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB01165 | Ofloxacin | GSDSWSVVBLHKDQ-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6m71 | DB03476 | Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine | NQRIWXVAIWPBEM-OALUTQOASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 1r42 | DB02258 | SR11254 | RNZIUDLOJHVHLZ-VYIQYICTSA-N | ACE2 area with important AAs |
| -8.5 | 6m71 | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB05016 | Ataluren | OOUGLTULBSNHNF-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB08146 | 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine | QFWNOFXQNCLFBC-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 7bv1 | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB12048 | Savolitinib | XYDNMOZJKOGZLS-NSHDSACASA-N | S2 unit |
| -8.5 | 6vxs | DB03758 | Radicicol | WYZWZEOGROVVHK-GTMNPGAYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB03797 | 3-Aminomethyl-Pyridinium-Adenine-Dinucleotide | HMCRLFVYYFBZEZ-PLEFRAQWSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB03944 | 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One | IZLRMTJLQCLMKF-CYBMUJFWSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m71 | DB04011 | 2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole | VMCOQLKKSNQANE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB02666 | (C8-R)-Hydantocidin 5'-Phosphate | MAXSFYCTFIBEAR-OJMIUMIFSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB03478 | 2'-O-Acetyl Adenosine-5-Diphosphoribose | BFNOPXRXIQJDHO-DLFWLGJNSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m71 | DB04038 | Ergosterol | DNVPQKQSNYMLRS-APGDWVJJSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB07692 | 1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine | SHWNKRPMUBFWKE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB04852 | Implitapide | AMNXBQPRODZJQR-DITALETJSA-N | S2 unit |
| -8.5 | 6lxt | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m3m | DB01183 | Naloxone | UZHSEJADLWPNLE-GRGSLBFTSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB08130 | N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine | FPDWDLAITHFTTP-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lxt | DB00845 | Clofazimine | WDQPAMHFFCXSNU-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxx | DB01645 | Genistein | TZBJGXHYKVUXJN-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07616 | 4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid | LKZZDHKJFDTYCH-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB11883 | SB-705498 | JYILLRHXRVTRSH-GFCCVEGCSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07394 | AUROVERTIN B | QXCOFYWOWZJFEA-YJMRODJJSA-N | 3CL pro |
| -8.5 | 6cs2 | DB06888 | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE | KBLPHMRCKHFBJB-OLZOCXBDSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB04807 | 4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | HQYVHBCTLFPWRQ-ZMFOIVQCSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB11844 | Pritelivir | IVZKZONQVYTCKC-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB13814 | Talampicillin | SOROUYSPFADXSN-SUWVAFIASA-N | S2 unit |
| -8.5 | 6crv | DB11946 | AZD-1981 | JWYIGNODXSRKGP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB11822 | TMC-647055 | UOBYJVFBFSLCTQ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 7bv1 | DB14017 | H3B-8800 | YOIQWBAHJZGRFW-WVRLKXNASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB06948 | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE | XWWRLKIBRPJQJX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB09383 | Meprednisone | PIDANAQULIKBQS-RNUIGHNZSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB11885 | Anlotinib | KSMZEXLVHXZPEF-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB08974 | Flubendazole | CPEUVMUXAHMANV-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB08001 | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID | DQSRCEFDWMQCCV-GQCTYLIASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB13685 | Quingestanol | PCJFRMOEZQQSAX-AIOSZGMZSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB11990 | MK-0812 | UNVWTBOGMHPKJM-CWKRKGSWSA-N | spike glycoprotein |
| -8.5 | 6crv | DB04756 | 2-[(3,5-Dichloro-4-trioxidanylphenyl)amino]benzoic acid | SNAMTVTZDPUVRA-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB13791 | Penfluridol | MDLAAYDRRZXJIF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB08954 | Ifenprodil | UYNVMODNBIQBMV-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB07039 | (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | RXSZCFAPSDTELY-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB13939 | RAD-140 | XMBUPPIEVAFYHO-KPZWWZAWSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB01459 | Bezitramide | FLKWNFFCSSJANB-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB14029 | Furafylline | HMZQULPVMKITSP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB11772 | Pilaralisib | QINPEPAQOBZPOF-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6m2n | DB07403 | 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE | DTDZLJHKVNTQGZ-GOSISDBHSA-N | 3CL pro |
| -8.5 | 6cs2 | DB06847 | 5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | YYCPXVRHQUEVAW-CQSZACIVSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB12740 | CC-115 | GMYLVKUGJMYTFB-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6cs2 | DB06497 | Aplaviroc | GWNOTCOIYUNTQP-FQLXRVMXSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB12725 | TD-8954 | MZOITCJKGUIQEI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12744 | CGI-1842 | ZXBFYBLSJMEBEP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12781 | Balaglitazone | IETKPTYAGKZLKY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB06533 | Ragaglitazar | WMUIIGVAWPWQAW-XMMPIXPASA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB12794 | p-Quaterphenyl | GPRIERYVMZVKTC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12796 | MRX-I | SULYVXZZUMRQAX-NSHDSACASA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07468 | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | NJBBBRZNBVLTRZ-GOSISDBHSA-N | 3CL pro |
| -8.5 | 6vxx | DB12442 | Alvespimycin | KUFRQPKVAWMTJO-LMZWQJSESA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB06652 | Vicriviroc | CNPVJJQCETWNEU-CYFREDJKSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB12832 | Prednimustine | HFVNWDWLWUCIHC-GUPDPFMOSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB00157 | NADH | BOPGDPNILDQYTO-NNYOXOHSSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB12707 | AR-42 | LAMIXXKAWNLXOC-INIZCTEOSA-N | 3CL pro |
| -8.5 | 6vxx | DB12400 | Voxtalisib | RGHYDLZMTYDBDT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB12857 | NVP-LEQ-506 | POERAARDVFVDLO-QGZVFWFLSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB12010 | Fostamatinib | GKDRMWXFWHEQQT-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6cs2 | DB06721 | Gimatecan | UIVFUQKYVFCEKJ-OPTOVBNMSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB12367 | Selurampanel | MCECSFFXUPEPDB-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07435 | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | GFANZDFKCCJYRF-NSISKUIASA-N | 3CL pro |
| -8.5 | 6crv | DB04873 | Piboserod | KVCSJPATKXABRQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB11979 | Elagolix | HEAUOKZIVMZVQL-VWLOTQADSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB11923 | Decoglurant | DMJHZVARRXJSEG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6m2n | DB12732 | Firategrast | YLFZHHDVRSYTKT-NRFANRHFSA-N | 3CL pro |
| -8.5 | 7bv1 | DB06532 | Pafuramidine | UKOQVLAXCBRRGH-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB06831 | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE | UMMYTDJYDSTEMB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB08911 | Trametinib | LIRYPHYGHXZJBZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB11663 | Pictilisib | LHNIIDJUOCFXAP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB08883 | Perampanel | PRMWGUBFXWROHD-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB14581 | CPI-1205 | HPODOLXTMDHLLC-QGZVFWFLSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB08442 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol | TWODFUZHWYZBHZ-MRXNPFEDSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB15219 | Tomivosertib | HKTBYUWLRDZAJK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB08422 | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE | GEIDRYBJURDUSW-MOPGFXCFSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB11176 | Zeaxanthin | JKQXZKUSFCKOGQ-QAYBQHTQSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB08390 | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE | AKNIHFDXRAOPAI-NRFANRHFSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB08382 | Gosogliptin | QWEWGXUTRTXFRF-KBPBESRZSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07242 | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | XGUIMGJMQKZRGM-LLVKDONJSA-N | 3CL pro |
| -8.5 | 6crv | DB04518 | 3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol | JJDRRZFRTKZLFT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB12059 | JNJ-40411813 | HYOGJHCDLQSAHX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB15431 | M-2698 | HXAUJHZZPCBFPN-QGZVFWFLSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB15446 | Vidofludimus | XPRDUGXOWVXZLL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB02639 | 4-methylumbelliferyl alpha-D-glucoside | YUDPTGPSBJVHCN-JZYAIQKZSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB04474 | 1-Anilino-8-Naphthalene Sulfonate | FWEOQOXTVHGIFQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB00180 | Flunisolide | XSFJVAJPIHIPKU-XWCQMRHXSA-N | PL pro |
| -8.5 | 7bv1 | DB01392 | Yohimbine | BLGXFZZNTVWLAY-SCYLSFHTSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB12972 | Sepranolone | AURFZBICLPNKBZ-FZCSVUEKSA-N | 3CL pro |
| -8.5 | 6m2n | DB12974 | Roniciclib | UELYDGOOJPRWGF-SRQXXRKNSA-N | 3CL pro |
| -8.5 | 6vxx | DB08054 | 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | GEZALMMCQYDFML-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB00267 | Cefmenoxime | HJJDBAOLQAWBMH-YCRCPZNHSA-N | PL pro |
| -8.5 | 6vxx | DB08046 | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide | JIVPVXMEBJLZRO-AWEZNQCLSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB12985 | Quisinostat | PAWIYAYFNXQGAP-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB04430 | 3-(4-Phenylamino-Phenylamino)-2-(1h-Tetrazol-5-Yl)-Acrylonitrile | FLPLCJJGNZGOAW-QXMHVHEDSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07217 | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | YVYPYORTKAIUGJ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB12079 | Gefarnate | ZPACYDRSPFRDHO-ROBAGEODSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB00358 | Mefloquine | XEEQGYMUWCZPDN-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w4h | DB15191 | MAX-40279 | AVIOBQFPAGEICQ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07473 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER | JYIHODAXBBPFQF-MAUKXSAKSA-N | 3CL pro |
| -8.5 | 6lzg | DB11274 | Dihydro-alpha-ergocryptine | PBUNVLRHZGSROC-VTIMJTGVSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB08448 | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol | PCBWLKUEKANDCL-INIZCTEOSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB07063 | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | KYHVTMFADJNSGS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB07065 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine | AHPKUZJCNHGFQA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB14625 | Meprednisone acetate | RZAMUHXEOMZXET-ABQXZQTJSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | ACE2 area for S-protein binding |
| -8.5 | 6lzg | DB11611 | Lifitegrast | JFOZKMSJYSPYLN-QHCPKHFHSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6cs2 | DB07074 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER | OUBRALHIKGRAMA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB11999 | Vosaroxin | XZAFZXJXZHRNAQ-STQMWFEESA-N | spike glycoprotein |
| -8.5 | 6vxx | DB08865 | Crizotinib | KTEIFNKAUNYNJU-GFCCVEGCSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB08828 | Vismodegib | BPQMGSKTAYIVFO-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB04643 | 4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID | FYQVFMLCZJZZEM-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB04639 | Biphenylalanine | JCZLABDVDPYLRZ-AWEZNQCLSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07269 | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID | SFUOOKBZBVUDBC-VQTJNVASSA-N | 3CL pro |
| -8.5 | 6m2n | DB00450 | Droperidol | RMEDXOLNCUSCGS-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB08519 | N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | SQQAPOSROFWHIB-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB13185 | Oxabolone cipionate | KHKDIUPVDIEHAH-KXLSUQFWSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB14929 | Elsulfavirine | ULTDEARCBRNRGR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6cs2 | DB07125 | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid | KKZYGUVAFJCULH-CYBMUJFWSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB08504 | 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM | ZNHVIJAGMFQGMS-IHPCNDPISA-N | spike glycoprotein |
| -8.5 | 6w4h | DB15031 | Nemorexant | NBGABHGMJVIVBW-QHCPKHFHSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB08491 | N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE | ARIRIZBKMKMEBD-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB15108 | Tipranavir C-14 | SUJUHGSWHZTSEU-MWQIXQBFSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB07159 | Tamatinib | NHHQJBCNYHBUSI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB08470 | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole | KMGPJKOKSYGMJD-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB15121 | AT-001 | YRGPAXAVTDMKDK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB07334 | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE | HTIZPBXCJPQDEM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6lzg | DB12096 | PF-05175157 | BDXXSFOJPYSYOC-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB15222 | GS-6620 | YAAQYJCOIFNMKX-RSTNYOGXSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB11805 | Saracatinib | OUKYUETWWIPKQR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB11824 | Tofogliflozin | VWVKUNOPTJGDOB-BDHVOXNPSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB12591 | BMS-911543 | JCINBYQJBYJGDM-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB11845 | Lucitanib | CUDVHEFYRIWYQD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB11865 | Brivanib alaninate | LTEJRLHKIYCEOX-OCCSQVGLSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB11871 | PF-00610355 | YPHDIMUXXABSSO-YTTGMZPUSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07643 | 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | XVLUVRFYGVJKGJ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB15168 | Cilofexor | KZSKGLFYQAYZCO-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB11751 | Cabotegravir | WCWSTNLSLKSJPK-LKFCYVNXSA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB01836 | [4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone | ZLAKCKVFSRSENR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB07638 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL | QJSMFUTULGSHNQ-ZOBUZTSGSA-N | 3CL pro |
| -8.5 | 7bv1 | DB13089 | Enoxolone | MPDGHEJMBKOTSU-YKLVYJNSSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB05585 | Verubulin | SNHCRNMVYDHVDT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB06263 | Amrubicin | VJZITPJGSQKZMX-XDPRQOKASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB11951 | Lemborexant | MUGXRYIUWFITCP-PGRDOPGGSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB05294 | Vandetanib | UHTHHESEBZOYNR-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB15057 | NUC-1031 | NHTKGYOMICWFQZ-KKQYNPQSSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB11984 | Letaxaban | GEHAEMCVKDPMKO-HXUWFJFHSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB11753 | Rifamycin | HJYYPODYNSCCOU-ODRIEIDWSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB12001 | Abemaciclib | UZWDCWONPYILKI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07584 | N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | OKGCSZUKOGMZAL-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB11736 | PF-00489791 | ZUHZNKJIJDAJFD-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB11740 | MK-1775 | BKWJAKQVGHWELA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB12511 | Imiglitazar | ULVDFHLHKNJICZ-QCWLDUFUSA-N | 3CL pro |
| -8.5 | 6m2n | DB12507 | Atecegatran metoxil | XSNMGLZVFNDDPW-ZWKOTPCHSA-N | 3CL pro |
| -8.5 | 6w4h | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB09048 | Netupitant | WAXQNWCZJDTGBU-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB09078 | Lenvatinib | WOSKHXYHFSIKNG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB09209 | Pholcodine | GPFAJKDEDBRFOS-FKQDBXSBSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB11665 | BMS-690514 | CSGQVNMSRKWUSH-IAGOWNOFSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB12836 | Grapiprant | HZVLFTCYCLXTGV-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB06153 | Pizotifen | FIADGNVRKBPQEU-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB09272 | Eluxadoline | QFNHIDANIVGXPE-FNZWTVRRSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07698 | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine | JDNMRPIWJIDDAY-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB11262 | Bisoctrizole | FQUNFJULCYSSOP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB11372 | Altrenogest | VWAUPFMBXBWEQY-ANULTFPQSA-N | nsp16 - nsp10 |
| -8.5 | 6wiq | DB00762 | Irinotecan | UWKQSNNFCGGAFS-XIFFEERXSA-N | nsp7-nsp8 |
| -8.5 | 6lzg | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6m2n | DB12492 | Piritramide | IHEHEFLXQFOQJO-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB00276 | Amsacrine | XCPGHVQEEXUHNC-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB05959 | ENMD-1198 | YQJWOUQGXATDAE-ACNBBOPNSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB12729 | ASP-3026 | MGGBYMDAPCCKCT-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB11622 | Dehydrocholic acid | OHXPGWPVLFPUSM-KLRNGDHRSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB11645 | PF-4191834 | DVNQWYLVSNPCJZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB05838 | OPC-51803 | INGXCNVWWKKWOO-LJQANCHMSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB11730 | Ribociclib | RHXHGRAEPCAFML-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB04862 | Merimepodib | JBPUGFODGPKTDW-SFHVURJKSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB00229 | Cefotiam | QYQDKDWGWDOFFU-IUODEOHRSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB05424 | Canertinib | OMZCMEYTWSXEPZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12041 | Mapracorat | VJGFOYBQOIPQFY-XMMPIXPASA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12048 | Savolitinib | XYDNMOZJKOGZLS-NSHDSACASA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB12622 | Lupeol | MQYXUWHLBZFQQO-QGTGJCAVSA-N | 3CL pro |
| -8.5 | 6vxx | DB13506 | Carfecillin | NZDASSHFKWDBBU-KVMCETHSSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12385 | 10-hydroxycamptothecin | HAWSQZCWOQZXHI-FQEVSTJZSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12391 | Sagopilone | BFZKMNSQCNVFGM-UCEYFQQTSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12394 | Eleclazine | YNUAEEJQYHYLMS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB12247 | AZD-4547 | VRQMAABPASPXMW-HDICACEKSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6m2n | DB07519 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one | VDFBMQAUECXNKR-OAQYLSRUSA-N | 3CL pro |
| -8.5 | 6w4h | DB12436 | Vofopitant | XILNRORTJVDYRH-HKUYNNGSSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB12643 | Nelivaptan | NJXZWIIMWNEOGJ-WEWKHQNJSA-N | 3CL pro |
| -8.5 | 6w4h | DB12465 | Ketanserin | FPCCSQOGAWCVBH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12477 | Perfluoro tert-butylcyclohexane | VLTXBOGHSBHSAC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12479 | Zabofloxacin | ZNPOCLHDJCAZAH-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB12645 | Givinostat | YALNUENQHAQXEA-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6cs2 | DB00590 | Doxazosin | RUZYUOTYCVRMRZ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB12500 | Fedratinib | JOOXLOJCABQBSG-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB06347 | Cenisertib | KSOVGRCOLZZTPF-QMKUDKLTSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB12966 | Falnidamol | FTFRZXFNZVCRSK-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB12937 | Quercetin-3'-O-phosphate | UWJBYNLLMAPJMM-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB12597 | ABL-001 | VOVZXURTCKPRDQ-CQSZACIVSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07493 | (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE | IEQQJQHHJMQETK-YPKPFQOOSA-N | 3CL pro |
| -8.5 | 6crv | DB04953 | Ezogabine | PCOBBVZJEWWZFR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB12612 | Ozanimod | XRVDGNKRPOAQTN-FQEVSTJZSA-N | 3CL pro |
| -8.5 | 6w4h | DB12705 | Cenerimod | KJKKMMMRWISKRF-FQEVSTJZSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB05252 | Fenoxaprop-ethyl | PQKBPHSEKWERTG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB12590 | Indiplon | CBIAWPMZSFFRGN-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6cs2 | DB05450 | Smilagenin | GMBQZIIUCVWOCD-UQHLGXRBSA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB05465 | Tandutinib | UXXQOJXBIDBUAC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB05490 | AMG-131 | NMRWDFUZLLQSBN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB12063 | CERC-301 | RECBFDWSXWAXHY-IAGOWNOFSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB14541 | Hydrocortisone cypionate | DLVOSEUFIRPIRM-KAQKJVHQSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB06295 | Pramiconazole | AEKNYBWUEYNWMJ-QWOOXDRHSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB14208 | Ramiprilat | KEDYTOTWMPBSLG-HILJTLORSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB12415 | Galeterone | PAFKTGFSEFKSQG-PAASFTFBSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB12130 | Lorlatinib | IIXWYSCJSQVBQM-LLVKDONJSA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB05395 | Amibegron | RDJQCOBTKKAQAH-FPOVZHCZSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB06334 | Tucidinostat | SZMJVTADHFNAIS-BJMVGYQFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB13988 | SB-269970 | HWKROQUZSKPIKQ-MRXNPFEDSA-N | spike glycoprotein |
| -8.5 | 6crv | DB11800 | Tivozanib | SPMVMDHWKHCIDT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB12355 | Netazepide | YDZYKNJZCVIKPP-VWLOTQADSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6cs2 | DB05932 | Denibulin | GAOHLWCIAJNSEE-JTQLQIEISA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB05959 | ENMD-1198 | YQJWOUQGXATDAE-ACNBBOPNSA-N | ACE2 area for S-protein binding |
| -8.5 | 6lzg | DB12339 | Radezolid | BTTNOGHPGJANSW-IBGZPJMESA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB12579 | JNJ-37822681 | UVUYWJWYRLJHEN-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB13596 | Oxycinchophen | XAPRFLSJBSXESP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07546 | [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid | BBYRUZKRFAIQSR-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB13586 | Metandienone | XWALNWXLMVGSFR-HLXURNFRSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB06134 | SNS-314 | FAYAUAZLLLJJGH-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB00402 | Eszopiclone | GBBSUAFBMRNDJC-INIZCTEOSA-N | PL pro |
| -8.5 | 6vxx | DB08008 | 5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine | LRHHXKBKRNNFRV-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB04371 | AL6528 | FBBLOSCXOZYUSS-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB05105 | Pleconaril | KQOXLKOJHVFTRN-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB08100 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | PAHKYLUYTGBFNW-CMDGGOBGSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB03235 | N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide | UEIGEWJJVQHIAX-MKQKURRLSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB03234 | (4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone | YATCZCSDJCQNAL-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB08111 | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol | ZGJYGQLGSXWEMY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB05532 | BMS-488043 | DBPMWRYLTBNCCE-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxx | DB03186 | U-Pi-a-Pi | JIAJERGOUFOENU-LNAOLWRRSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB05738 | Vapitadine | VQWGYPVNVICKFC-UHFFFAOYSA-N | PL pro |
| -8.5 | 7bv1 | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB06157 | Istaroxime | MPYLDWFDPHRTEG-PAAYLBSLSA-N | PL pro |
| -8.5 | 6m2n | DB06257 | HE-2200 | OEVZKEVBDIDVOI-YSZCXEEOSA-N | 3CL pro |
| -8.5 | 6m2n | DB06345 | AR-9281 | HUDQLWBKJOMXSZ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB06250 | Fluasterone | VHZXNQKVFDBFIK-NBBHSKLNSA-N | 3CL pro |
| -8.5 | 6w9c | DB06235 | Vadimezan | XGOYIMQSIKSOBS-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB00844 | Nalbuphine | NETZHAKZCGBWSS-CEDHKZHLSA-N | 3CL pro |
| -8.5 | 6vxx | DB02712 | Sorbinil | LXANPKRCLVQAOG-NSHDSACASA-N | spike glycoprotein |
| -8.5 | 6w9c | DB06274 | Alvimopan | UPNUIXSCZBYVBB-JVFUWBCBSA-N | PL pro |
| -8.5 | 6crv | DB12428 | PAC-14028 | UKGJZDSUJSPAJL-YPUOHESYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB02621 | Latrunculin A | DDVBPZROPPMBLW-IZGXTMSKSA-N | spike glycoprotein |
| -8.5 | 6crv | DB12430 | BC-3781 | KPVIXBKIJXZQJX-IJUBVZAWSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB06346 | Fiboflapon | DFQGDHBGRSTTHX-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB02901 | Stanolone | NVKAWKQGWWIWPM-ABEVXSGRSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB06460 | Enrasentan | GLCKXJLCYIJMRB-UPRLRBBYSA-N | PL pro |
| -8.5 | 6m2n | DB13739 | Penamecillin | NLOOMWLTUVBWAW-HLLBOEOZSA-N | 3CL pro |
| -8.5 | 6m2n | DB06249 | Arzoxifene | MCGDSOGUHLTADD-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB05016 | Ataluren | OOUGLTULBSNHNF-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB03121 | (1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid | ZEKCBTQHDTUHRJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB04983 | Denufosol | FPNPSEMJLALQSA-MIYUEGBISA-N | PL pro |
| -8.5 | 6lzg | DB07994 | N-3-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE | KMBPJSHPAXOXBT-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6m2n | DB13484 | Quinbolone | IUVKMZGDUIUOCP-BTNSXGMBSA-N | 3CL pro |
| -8.5 | 6w9q | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | nsp9 RNA-replicase |
| -8.5 | 6w9c | DB04591 | N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE | VYJOAYZRCNHDNG-GOSISDBHSA-N | PL pro |
| -8.5 | 6w9c | DB04614 | (R)-tacrine(10)-hupyridone | ROTFGKJJMRTWBD-HHHXNRCGSA-N | PL pro |
| -8.5 | 6m2n | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | 3CL pro |
| -8.5 | 6vxx | DB03718 | 6-Aza-Ump | LRVZOSYMNMNQFR-SHUUEZRQSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB03714 | 4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid | OWWCIKSGGKYNHT-ZDUSSCGKSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB06457 | Tecastemizole | SFOVDSLXFUGAIV-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB04652 | Corticosterone | OMFXVFTZEKFJBZ-HJTSIMOOSA-N | PL pro |
| -8.5 | 6crv | DB12376 | Ricolinostat | QGZYDVAGYRLSKP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB03205 | Pyrroloquinoline Quinone | MMXZSJMASHPLLR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB00522 | Bentiromide | SPPTWHFVYKCNNK-FQEVSTJZSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB03666 | 3'-Azido-3'-Deoxythymidine-5'-Monophosphate | OIFWQOKDSPDILA-XLPZGREQSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB08061 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE | GELALLNTKKLQLM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB04794 | Bifonazole | OCAPBUJLXMYKEJ-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB04796 | Inecalcitol | HHGRMHMXKPQNGF-WNSNRMDMSA-N | PL pro |
| -8.5 | 6lzg | DB07872 | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | IYGIXVNAMZPBDK-CQSZACIVSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB03601 | 5-deoxyflavanone | FURUXTVZLHCCNA-AWEZNQCLSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB13563 | Norgestrienone | GVDMJXQHPUYPHP-FYQPLNBISA-N | 3CL pro |
| -8.5 | 6w9c | DB04885 | Cilansetron | NCNFDKWULDWJDS-OAHLLOKOSA-N | PL pro |
| -8.5 | 7bv1 | DB05327 | Ranirestat | QCVNMNYRNIMDKV-QGZVFWFLSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB04898 | Ximelagatran | ZXIBCJHYVWYIKI-PZJWPPBQSA-N | PL pro |
| -8.5 | 6m2n | DB13571 | Pentamycin | AGJUUQSLGVCRQA-SWOUQTJZSA-N | 3CL pro |
| -8.5 | 7bv1 | DB08345 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | IWUUKHQIKFHWIW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB06588 | Triphendiol | KQCJZAUNKSGEFM-UNMCSNQZSA-N | PL pro |
| -8.5 | 6w9c | DB06620 | Aplindore | DYJIKHYBKVODAC-ZDUSSCGKSA-N | PL pro |
| -8.5 | 6cs2 | DB08285 | (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol | SQUNOCMDMIQIQK-OAHLLOKOSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9q | DB15068 | Agerafenib | DKNUPRMJNUQNHR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxx | DB00910 | Paricalcitol | BPKAHTKRCLCHEA-UBFJEZKGSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB00908 | Quinidine | LOUPRKONTZGTKE-LHHVKLHASA-N | spike glycoprotein |
| -8.5 | 6vxx | DB00901 | Bitolterol | FZGVEKPRDOIXJY-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB13059 | PF-03814735 | RYYNGWLOYLRZLK-RBUKOAKNSA-N | S2 unit |
| -8.5 | 6w9c | DB07148 | (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one | HPAFVLDARQIHPU-HNNXBMFYSA-N | PL pro |
| -8.5 | 6crv | DB02703 | Fusidic acid | IECPWNUMDGFDKC-MZJAQBGESA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB08489 | N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE | GCBPAPVOMPJQHK-NQIIRXRSSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB07227 | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE | JNUGFGAVPBYSHF-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB13954 | Estradiol cypionate | UOACKFBJUYNSLK-XRKIENNPSA-N | 3CL pro |
| -8.5 | 6cs2 | DB08500 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | ZCJBDRSKHARECB-PYTCMNEWSA-N | ACE2 area for S-protein binding |
| -8.5 | 6lxt | DB13055 | Oteseconazole | IDUYJRXRDSPPRC-NRFANRHFSA-N | S2 unit |
| -8.5 | 6m2n | DB05590 | Bedoradrine | OANCEOSLKSTLTA-REWPJTCUSA-N | 3CL pro |
| -8.5 | 6cs2 | DB08531 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CVYWYUAQFJMLEO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB02602 | AL7182 | ICIXQGGQPKFQRL-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB07287 | 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL | AOVDSWPGWPRTSR-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB07295 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID | IGOULVZYQKJJKC-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB08534 | 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | ZAIYYXVHGBMLEC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB05524 | Pelitinib | WVUNYSQLFKLYNI-AATRIKPKSA-N | 3CL pro |
| -8.5 | 6crv | DB02587 | Colforsin | OHCQJHSOBUTRHG-KGGHGJDLSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB07255 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | PNEWIQAEGKQNCE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB00497 | Oxycodone | BRUQQQPBMZOVGD-XFKAJCMBSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB00496 | Darifenacin | HXGBXQDTNZMWGS-RUZDIDTESA-N | spike glycoprotein |
| -8.5 | 6lzg | DB07253 | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | QTFCKBFCXDAZIU-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB00490 | Buspirone | QWCRAEMEVRGPNT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB07403 | 4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE | DTDZLJHKVNTQGZ-GOSISDBHSA-N | PL pro |
| -8.5 | 6vxx | DB00920 | Ketotifen | ZCVMWBYGMWKGHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB06533 | Ragaglitazar | WMUIIGVAWPWQAW-XMMPIXPASA-N | 3CL pro |
| -8.5 | 6m2n | DB13936 | JNJ-28330835 | RYBKPGYFXRNMMU-LBPRGKRZSA-N | 3CL pro |
| -8.5 | 6m2n | DB05738 | Vapitadine | VQWGYPVNVICKFC-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB06160 | Garenoxacin | NJDRXTDGYFKORP-LLVKDONJSA-N | 3CL pro |
| -8.5 | 6cs2 | DB08300 | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | UOKGZPYGRJDACN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB00873 | Loteprednol | YPZVAYHNBBHPTO-MXRBDKCISA-N | 3CL pro |
| -8.5 | 6vxx | DB01752 | S-adenosyl-L-homocysteine | ZJUKTBDSGOFHSH-WFMPWKQPSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB06134 | SNS-314 | FAYAUAZLLLJJGH-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6lzg | DB07514 | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one | LHLGUOHREUTYTO-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB01708 | Prasterone | FMGSKLZLMKYGDP-USOAJAOKSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB06899 | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | RMEVNJZCKDVVND-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB05990 | Obeticholic acid | ZXERDUOLZKYMJM-ZWECCWDJSA-N | 3CL pro |
| -8.5 | 6w9c | DB06932 | 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine | NVINUNQBDNEMSY-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB12504 | JNJ-40346527 | BNVPFDRNGHMRJS-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB06962 | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone | YKTUSHSSKIWDRY-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB05936 | CVT-6883 | KOYXXLLNCXWUNF-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB06993 | (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine | PTAHVQJZNFGPHN-WFWWEWPISA-N | PL pro |
| -8.5 | 6m2n | DB00896 | Rimexolone | QTTRZHGPGKRAFB-OOKHYKNYSA-N | 3CL pro |
| -8.5 | 6vxx | DB01320 | Fosphenytoin | XWLUWCNOOVRFPX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB05884 | HCV-086 | VBRUONUESYTIDA-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB07027 | D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide | JGZSVYZIJHGHMA-MOPGFXCFSA-N | PL pro |
| -8.5 | 6w9c | DB07036 | (3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol | GPFRMIHXGMVMGF-BZSNNMDCSA-N | PL pro |
| -8.5 | 6cs2 | DB08429 | N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | QRGBOABBMKYMLG-UXHICEINSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB07045 | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | VBJKVZXRYLCYGQ-XNIJJKJLSA-N | PL pro |
| -8.5 | 6w9c | DB07063 | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | KYHVTMFADJNSGS-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB00783 | Estradiol | VOXZDWNPVJITMN-ZBRFXRBCSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB01195 | Flecainide | DJBNUMBKLMJRSA-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB01192 | Oxymorphone | UQCNKQCJZOAFTQ-ISWURRPUSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB08463 | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol | HOCBJBNQIQQQGT-LJQANCHMSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB13461 | Cefcapene | HJJRIJDTIPFROI-NVKITGPLSA-N | 3CL pro |
| -8.5 | 6w9c | DB04194 | Chitotriose | WZZVUHWLNMNWLW-VFCSDQTKSA-N | PL pro |
| -8.5 | 6vxx | DB04158 | 6-(Adenosine Tetraphosphate-Methyl)-7,8-Dihydropterin | ZKRKFZJAQKKHKL-SUGPNEFASA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB05552 | TG100-115 | UJIAQDJKSXQLIT-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB01418 | Acenocoumarol | VABCILAOYCMVPS-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxx | DB07210 | 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | JECHSYMSTXETFI-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07192 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE | MVPIURCUINFSAB-LBPRGKRZSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB01481 | 1-Testosterone | OKJCFMUGMSVJBG-ABEVXSGRSA-N | PL pro |
| -8.5 | 6vxx | DB07161 | 5-phenyl-1H-indazol-3-amine | ZCUSNQPYUNLATP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07159 | Tamatinib | NHHQJBCNYHBUSI-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB12210 | AZD-6280 | NVWCZRPXYVDQEE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07146 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE | QUIQCYFSBGOBKE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB01544 | Flunitrazepam | PPTYJKAXVCCBDU-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB07642 | 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | GYKIQIOWVKCVBP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB07021 | (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine | SOSYXEPELJIJHZ-RNCFNFMXSA-N | 3CL pro |
| -8.5 | 6w9c | DB01569 | Formebolone | AMVODTGMYSRMNP-GNIMZFFESA-N | PL pro |
| -8.5 | 6cs2 | DB07651 | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE | KPMMESISHWWXNM-ROUUACIJSA-N | ACE2 area for S-protein binding |
| -8.5 | 6lzg | DB08683 | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | OTPNDVKVEAIXTI-IYBDPMFKSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB03950 | (S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide | ZFWHOUCRVSOZJE-AWEZNQCLSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07015 | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine | XDSKICAQKGYYJF-OLZOCXBDSA-N | 3CL pro |
| -8.5 | 6w9c | DB01623 | Thiothixene | GFBKORZTTCHDGY-UWVJOHFNSA-N | PL pro |
| -8.5 | 6vxx | DB06848 | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine | VCUDZTCDUDDJGG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB01708 | Prasterone | FMGSKLZLMKYGDP-USOAJAOKSA-N | PL pro |
| -8.5 | 6cs2 | DB07676 | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one | CKLAPOFDFZKCPB-LBPRGKRZSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB06834 | N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide | XZRYCTLOGNCQDG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB01774 | Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester | WFPZSXYXPSUOPY-ROYWQJLOSA-N | PL pro |
| -8.5 | 6w9c | DB02021 | Fidarestat | WAAPEIZFCHNLKK-UFBFGSQYSA-N | PL pro |
| -8.5 | 6m2n | DB06977 | (2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine | CAASENZOSQYNPX-HSTJUUNISA-N | 3CL pro |
| -8.5 | 6w9c | DB01342 | Forasartan | YONOBYIBNBCDSJ-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB02102 | DMP450 | KYRSNWPSSXSNEP-ZRTHHSRSSA-N | PL pro |
| -8.5 | 6vxx | DB07540 | 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE | AKFVRSQELXTCFW-JYRVWZFOSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB01184 | Domperidone | FGXWKSZFVQUSTL-UHFFFAOYSA-N | PL pro |
| -8.5 | 6lzg | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB00436 | Bendroflumethiazide | HDWIHXWEUNVBIY-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB00438 | Ceftazidime | ORFOPKXBNMVMKC-DWVKKRMSSA-N | PL pro |
| -8.5 | 6crv | DB04357 | Pteric Acid | JOAQINSXLLMRCV-UHFFFAOYSA-O | spike glycoprotein |
| -8.5 | 6vxx | DB07976 | 3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID | GIUMGVUBDBDTDX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB04270 | (S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid | WUZIMDSVRIBNNI-DEOSSOPVSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB04254 | 8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine | ARWHTQLGMWHTAZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB07415 | 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine | RFLOFHKRBGKCOB-AWEZNQCLSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB00673 | Aprepitant | ATALOFNDEOCMKK-OITMNORJSA-N | PL pro |
| -8.5 | 6vxx | DB07676 | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one | CKLAPOFDFZKCPB-LBPRGKRZSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07664 | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | ARIOBGGRZJITQX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB00741 | Hydrocortisone | JYGXADMDTFJGBT-VWUMJDOOSA-N | PL pro |
| -8.5 | 6w9c | DB00801 | Halazepam | WYCLKVQLVUQKNZ-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB00846 | Flurandrenolide | POPFMWWJOGLOIF-XWCQMRHXSA-N | PL pro |
| -8.5 | 6w9c | DB00894 | Testolactone | BPEWUONYVDABNZ-DZBHQSCQSA-N | PL pro |
| -8.5 | 6cs2 | DB07459 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | HVLSCZSVTCNAQX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB12130 | Lorlatinib | IIXWYSCJSQVBQM-LLVKDONJSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB00957 | Norgestimate | KIQQMECNKUGGKA-NMYWJIRASA-N | PL pro |
| -8.5 | 6crv | DB12131 | Vinpocetine | DDNCQMVWWZOMLN-IRLDBZIGSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07138 | Neflamapimod | VEPKQEUBKLEPRA-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6lzg | DB08912 | Dabrafenib | BFSMGDJOXZAERB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB07588 | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID | FZDVNXHYGMEEDT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB13165 | Ripasudil | QSKQVZWVLOIIEV-NSHDSACASA-N | spike glycoprotein |
| -8.5 | 6w9c | DB01100 | Pimozide | YVUQSNJEYSNKRX-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB01198 | Zopiclone | GBBSUAFBMRNDJC-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB11622 | Dehydrocholic acid | OHXPGWPVLFPUSM-KLRNGDHRSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB02115 | Daidzin | KYQZWONCHDNPDP-QNDFHXLGSA-N | PL pro |
| -8.5 | 6lzg | DB08538 | N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | HQPVGVSQPQVZLD-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB05399 | Succinobucol | RKSMVPNZHBRNNS-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB05294 | Vandetanib | UHTHHESEBZOYNR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB13371 | Difenpiramide | PWHROYKAGRUWDQ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB03247 | Flavin mononucleotide | FVTCRASFADXXNN-SCRDCRAPSA-N | PL pro |
| -8.5 | 6m2n | DB13393 | Emetine | AUVVAXYIELKVAI-CKBKHPSWSA-N | 3CL pro |
| -8.5 | 6w9c | DB03507 | 6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One | UXGUZFZBZPPZGL-UHFFFAOYSA-N | PL pro |
| -8.5 | 7bv1 | DB00637 | Astemizole | GXDALQBWZGODGZ-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB00719 | Azatadine | SEBMTIQKRHYNIT-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB03598 | Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | XSUAVPPTKHUTDX-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB13418 | Moxestrol | MTMZZIPTQITGCY-OLGWUGKESA-N | 3CL pro |
| -8.5 | 6cs2 | DB07917 | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE | TZQGXAHOROZEKN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9q | DB15382 | SAR-125844 | ODIUNTQOXRXOIV-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6crv | DB03467 | Naringenin | FTVWIRXFELQLPI-ZDUSSCGKSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB06710 | Methyltestosterone | GCKMFJBGXUYNAG-HLXURNFRSA-N | 3CL pro |
| -8.5 | 6m2n | DB13432 | Lonazolac | XVUQHFRQHBLHQD-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB06670 | Odanacatib | FWIVDMJALNEADT-SFTDATJTSA-N | 3CL pro |
| -8.5 | 6w9c | DB04014 | Alsterpaullone | OLUKILHGKRVDCT-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB04022 | Guanosine-5',3'-Tetraphosphate | BUFLLCUFNHESEH-UUOKFMHZSA-N | PL pro |
| -8.5 | 6cs2 | DB07945 | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid | GKBQRPKZHUFGOB-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB04038 | Ergosterol | DNVPQKQSNYMLRS-APGDWVJJSA-N | PL pro |
| -8.5 | 6m2n | DB06634 | Casopitant | XGGTZCKQRWXCHW-WMTVXVAQSA-N | 3CL pro |
| -8.5 | 6w9c | DB04097 | Uridine-5'-Diphosphate-4-Deoxy-4-Fluoro-Alpha-D-Galactose | OAPPZHVTNHJVAL-JZMIEXBBSA-N | PL pro |
| -8.5 | 6vxx | DB04204 | [(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid | SRHSAABKYJDBDV-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB07962 | METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE | ZMRRBWRMQPQQAN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9q | DB15233 | Avapritinib | DWYRIWUZIJHQKQ-SANMLTNESA-N | nsp9 RNA-replicase |
| -8.5 | 6w9c | DB03199 | 4-Methoxy-E-Rhodomycin T | XSSVYBYWQBNYOH-QJIXERIWSA-N | PL pro |
| -8.5 | 6w9c | DB02128 | [1-(3-Hydroxy-2-Oxo-1-Phenethyl-Propylcarbamoyl)2-Phenyl-Ethyl]-Carbamic Acid Pyridin-4-Ylmethyl Ester | QCUBCTPTNWPFBC-ZEQRLZLVSA-N | PL pro |
| -8.5 | 6w9c | DB03161 | Thymidine-5'-Diphospho-Beta-D-Xylose | AJUADKZRQSBUAK-KDGZBOQCSA-N | PL pro |
| -8.5 | 6m2n | DB00691 | Moexipril | UWWDHYUMIORJTA-HSQYWUDLSA-N | 3CL pro |
| -8.5 | 7bv1 | DB08303 | (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | CUMKMTBOHBENJI-SFHVURJKSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lzg | DB08531 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CVYWYUAQFJMLEO-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6m2n | DB06955 | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | OAMCCJASDLMTOO-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6cs2 | DB07728 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | XJJYJNMNYDNXNO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6lzg | DB08504 | 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM | ZNHVIJAGMFQGMS-IHPCNDPISA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB02319 | 5,6-Dihydroxy-Nadp | LRAVAOPKUBJONV-IVCJQJMGSA-N | PL pro |
| -8.5 | 6m2n | DB06932 | 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine | NVINUNQBDNEMSY-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB02358 | LY374571 | SZHRIPFGZWWRKW-VIFPVBQESA-N | PL pro |
| -8.5 | 6crv | DB12239 | Balicatib | LLCRBOWRJOUJAE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB06678 | Esmirtazapine | RONZAEMNMFQXRA-MRXNPFEDSA-N | spike glycoprotein |
| -8.5 | 6wiq | DB00324 | Fluorometholone | FAOZLTXFLGPHNG-KNAQIMQKSA-N | nsp7-nsp8 |
| -8.5 | 6w9c | DB02485 | Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid | TXCIAUNLDRJGJZ-BILDWYJOSA-N | PL pro |
| -8.5 | 6m2n | DB06899 | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE | RMEVNJZCKDVVND-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 7bv1 | DB00912 | Repaglinide | FAEKWTJYAYMJKF-QHCPKHFHSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB07779 | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE | ANQHSFFUNMTTRS-MOPGFXCFSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB05903 | KOS-1584 | XAYAKDZVINDZGB-BMVMHAJPSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB05884 | HCV-086 | VBRUONUESYTIDA-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB07787 | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE | PNPFDRCIGCUCMN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB02656 | LY-294002 | CZQHHVNHHHRRDU-UHFFFAOYSA-N | PL pro |
| -8.5 | 6lzg | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB05804 | Prasterone sulfate | CZWCKYRVOZZJNM-USOAJAOKSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB13556 | Sulfamazone | BGLHAKAJGYLSOX-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxx | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB13327 | Picotamide | KYWCWBXGRWWINE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB06856 | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE | HUYQYLFFFNSAAX-BUXKBTBVSA-N | 3CL pro |
| -8.5 | 6cs2 | DB07839 | N-2-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | VFNWTXUFNNOQHD-QFIPXVFZSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB06213 | Regadenoson | LZPZPHGJDAGEJZ-AKAIJSEGSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB01940 | Balanol Analog 2 | SQLYTJZXRRDERK-ISKFKSNPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB00705 | Delavirdine | WHBIGIKBNXZKFE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB11786 | Pefcalcitol | SVCSMAZYWOQCBW-NVJMFHFGSA-N | nsp9 |
| -8.5 | 6vxx | DB08267 | 6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | PBZAIUVFRISTSZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB11851 | Bafetinib | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N | nsp9 |
| -8.5 | 6crv | DB07755 | (2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol | GNLAGGCSJGJECE-INIZCTEOSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07750 | (2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol | GNLAGGCSJGJECE-MRXNPFEDSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07717 | (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | AJODXHGZHBERGJ-JLYQOUBASA-N | spike glycoprotein |
| -8.5 | 6w4b | DB12154 | Itacitinib | KTBSXLIQKWEBRB-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6vxx | DB08141 | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide | KOMNQBZWMCFDTQ-VIFPVBQESA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB07537 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide | CLEGTVIMOPPIBR-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4b | DB12221 | Canrenone | UJVLDDZCTMKXJK-WNHSNXHDSA-N | nsp9 |
| -8.5 | 6vxx | DB08122 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | IKASAFLVQIJQOK-UVTDQMKNSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB08341 | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide | CAUFYHKGKDJMQG-HZPDHXFCSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB03076 | AHA047 | CGBDAHCDSVOMCF-FYZVQMPESA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4b | DB12513 | Omaveloxolone | RJCWBNBKOKFWNY-IDPLTSGASA-N | nsp9 |
| -8.5 | 6lxt | DB15138 | AZD-9496 | DFBDRVGWBHBJNR-BBNFHIFMSA-N | S2 unit |
| -8.5 | 6m2n | DB08807 | Bopindolol | UUOJIACWOAYWEZ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB11964 | Ilaprazole | HRRXCXABAPSOCP-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4b | DB12703 | Omipalisib | CGBJSGAELGCMKE-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6crv | DB07662 | N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE | HTUBKQUPEREOGA-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB15156 | ABT-072 | XMZSTQYSBYEENY-RMKNXTFCSA-N | S2 unit |
| -8.5 | 6vxx | DB07891 | 4-{[(14beta,17alpha)-3-hydrox1tra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | YJPIDPAGJSWWBE-FNIAAEIWSA-N | spike glycoprotein |
| -8.5 | 6crv | DB08753 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE | GARHCDOTUULBOQ-PKNBQFBNSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB15163 | Selatogrel | FYXHWMQPCJOJCH-GMAHTHKFSA-N | S2 unit |
| -8.5 | 6cs2 | DB03157 | N,O-Didansyl-L-Tyrosine | LUBOPDUYHWABFG-NDEPHWFRSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB08112 | N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID | IRJUSGUHNFMVCK-OAQYLSRUSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07775 | 3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE | BRPKBUNFOZFULQ-SGAXSIHGSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB08346 | (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE | YUZYDHRGGDTZLG-DUXPYHPUSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB11697 | Pacritinib | HWXVIOGONBBTBY-ONEGZZNKSA-N | nsp9 |
| -8.5 | 6m2n | DB09083 | Ivabradine | ACRHBAYQBXXRTO-OAQYLSRUSA-N | 3CL pro |
| -8.5 | 6w4b | DB07586 | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE | DOPFUKKMSDUVTQ-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6m2n | DB09070 | Tibolone | WZDGZWOAQTVYBX-XOINTXKNSA-N | 3CL pro |
| -8.5 | 6vxx | DB08739 | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | ZSXNPAWXICXNGZ-HNNXBMFYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB07794 | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE | XVECMUKVOMUNLE-UHFFFAOYSA-N | nsp9 |
| -8.5 | 7bv1 | DB07117 | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE | FMKQJGOROFNCGM-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB08697 | 4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide | JDYIYIRPQKMWMM-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB07970 | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide | SAAYRHKJHDIDPH-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6w4b | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6w4b | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | nsp9 |
| -8.5 | 6w4b | DB08036 | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | MEXUTNIFSHFQRG-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6m2n | DB11890 | Cilengitide | AMLYAMJWYAIXIA-VWNVYAMZSA-N | 3CL pro |
| -8.5 | 6crv | DB07870 | (2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]OXY}PHENOXY)PROPANOIC ACID | GOCUAJYOYBLQRH-MRVPVSSYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB08597 | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | XHBVYDAKJHETMP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB08674 | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE | USPFJPDEADLGIG-HSZRJFAPSA-N | nsp9 |
| -8.5 | 6w4b | DB08708 | N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine | XYYDXQCAYXOGQT-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6vxx | DB08560 | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE | GULUFDCOGAXLEP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB08950 | Indoramin | JXZZEXZZKAWDSP-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4b | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | nsp9 |
| -8.5 | 6w4b | DB09195 | Lorpiprazole | BNRMWKUVWLKDQJ-YJBOKZPZSA-N | nsp9 |
| -8.5 | 6vxx | DB08539 | 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CCDIUVLNHCGSMH-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB08927 | Amperozide | NNAIYOXJNVGUOM-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB08704 | [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate | NUNQIQQEEPOGDJ-JDOAOKHLSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB11910 | MK-0249 | DDDZBLNULGDPGA-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB08353 | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | NCVMTHVSAJMOPI-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB13003 | Cortivazol | RKHQGWMMUURILY-UHRZLXHJSA-N | nsp9 |
| -8.5 | 6w4b | DB13014 | Hypericin | BTXNYTINYBABQR-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6vxx | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07788 | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE | NEQZWEXWOFPKOT-QHSZRYGNSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07441 | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID | FRBAOMHMZCGBOJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB08846 | Ellagic Acid | AFSDNFLWKVMVRB-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB03337 | 1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea | ZHCAYBOLUMAUQX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB00377 | Palonosetron | CPZBLNMUGSZIPR-NVXWUHKLSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB07325 | N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | VCOKUBHAJVTVNG-FMIVXFBMSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB08582 | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide | DELARNBPJXTDBD-IYBDPMFKSA-N | 3CL pro |
| -8.5 | 6lzg | DB01100 | Pimozide | YVUQSNJEYSNKRX-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB00471 | Montelukast | UCHDWCPVSPXUMX-TZIWLTJVSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB07312 | 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE | JCXZHFCBNFFHRC-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB01070 | Dihydrotachysterol | ILYCWAKSDCYMBB-OPCMSESCSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB07421 | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile | INVUBEGZQHQAMY-SJORKVTESA-N | spike glycoprotein |
| -8.5 | 6m2n | DB08560 | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE | GULUFDCOGAXLEP-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB08880 | Teriflunomide | UTNUDOFZCWSZMS-YFHOEESVSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB00637 | Astemizole | GXDALQBWZGODGZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB00699 | Nicergoline | YSEXMKHXIOCEJA-FVFQAYNVSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB08539 | 3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CCDIUVLNHCGSMH-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB07352 | Apigenin | KZNIFHPLKGYRTM-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07086 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | XXIFNRNIQJKFLP-XHSDSOJGSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB00932 | Tipranavir | SUJUHGSWHZTSEU-FYBSXPHGSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB07070 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid | BDLLIPYDNFENMY-ZDUSSCGKSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07330 | trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium | KXSIHXHEHABEJX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB01047 | Fluocinonide | WJOHZNCJWYWUJD-IUGZLZTKSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB07316 | N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide | FAVXIEFZKPJZRT-NRFANRHFSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB08896 | Regorafenib | FNHKPVJBJVTLMP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB08833 | Taurochenodeoxycholic acid | BHTRKEVKTKCXOH-BJLOMENOSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB07126 | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | OWXORKPNCHJYOF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB00288 | Amcinonide | ILKJAFIWWBXGDU-MOGDOJJUSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB00275 | Olmesartan | VTRAEEWXHOVJFV-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB07783 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | GUYYFMCFEPDDFL-OAQYLSRUSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07775 | 3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE | BRPKBUNFOZFULQ-SGAXSIHGSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07607 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | RXDZANYWRNIAOR-HHHXNRCGSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07595 | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE | WSIQKQLAGWVKSL-UHFFFAOYSA-O | spike glycoprotein |
| -8.5 | 7bv1 | DB07076 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | FWTQOPWAMQXIMI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB04421 | Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct | BZJFKYRGSZWSLT-YLIVDTKOSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6wiq | DB02112 | Zk-806450 | DZLGSWPXZYDHBD-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.5 | 6m2n | DB11987 | GSK-2018682 | NFIGDBFIDKDNIG-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4b | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | nsp9 |
| -8.5 | 6vxx | DB07513 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE | JMGUSOLCNQVZCT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB14792 | AZD-5991 | KBQCEQAXHPIRTF-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6w4b | DB14822 | SB-649868 | ZJXIUGNEAIHSBI-IBGZPJMESA-N | nsp9 |
| -8.5 | 6w4b | DB14882 | CEP-9722 | CTLOSZHDGZLOQE-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6w4b | DB14883 | Lorecivivint | AQDWDWAYVBQMAM-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6w4b | DB14989 | Umbralisib | IUVCFHHAEHNCFT-INIZCTEOSA-N | nsp9 |
| -8.5 | 6w4b | DB15034 | PRI-724 | VHOZWHQPEJGPCC-AZXNYEMZSA-N | nsp9 |
| -8.5 | 6crv | DB08796 | Pipazethate | DTVJXCOMJLLMAK-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07539 | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID | JLRKRQCTYQGDKJ-GHXNOFRVSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07530 | (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol | PCHUQQNKOFNVDU-OSXMSNBXSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07469 | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | KAJFGRLMKVNMLH-GOSISDBHSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07513 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE | JMGUSOLCNQVZCT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07510 | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid | CPZFGNOKCMJZFO-BTHQEHEQSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07457 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | APYXQTXFRIDSGE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07468 | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | NJBBBRZNBVLTRZ-GOSISDBHSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB08609 | (2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide | SHEIQJGQDUYUBE-GOSISDBHSA-N | 3CL pro |
| -8.5 | 6w4h | DB00276 | Amsacrine | XCPGHVQEEXUHNC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB09119 | Eslicarbazepine acetate | QIALRBLEEWJACW-INIZCTEOSA-N | 3CL pro |
| -8.5 | 6m2n | DB11859 | Brexanolone | AURFZBICLPNKBZ-SYBPFIFISA-N | 3CL pro |
| -8.5 | 6vxx | DB09021 | Benzoctamine | GNRXCIONJWKSEA-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14646 | Prednisone acetate | MOVRKLZUVNCBIP-RFZYENFJSA-N | spike glycoprotein |
| -8.5 | 6crv | DB08246 | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE | WFFMEXQHWXEKBV-SFHVURJKSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14657 | Paramethasone acetate | HYRKAAMZBDSJFJ-LFDBJOOHSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14720 | Brovanexine | DQTRREPKGJIABH-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14737 | Cannabinol | VBGLYOIFKLUMQG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB01708 | Prasterone | FMGSKLZLMKYGDP-USOAJAOKSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB12325 | Idasanutlin | TVTXCJFHQKSQQM-LJQIRTBHSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB11440 | Norgestomet | IWSXBCZCPVUWHT-VIFKTUCRSA-N | 3CL pro |
| -8.5 | 6crv | DB08442 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol | TWODFUZHWYZBHZ-MRXNPFEDSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14857 | Avadomide | RSNPAKAFCAAMBH-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14899 | Tavapadon | AKQXQLUNFKDZBN-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12273 | Ecopipam | DMJWENQHWZZWDF-PKOBYXMFSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14917 | Ceralasertib | DTTJKLNXNZAVSM-JYCIKRDWSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12254 | ABT-751 | URCVCIZFVQDVPM-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB02336 | RU83876 | WCMLXBUNHNAMNH-UIOOFZCWSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB14929 | Elsulfavirine | ULTDEARCBRNRGR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12252 | PG-701 | OKRSVUYYCJPECG-LFGMFVMYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12238 | MK-0777 | QKIWQBLNTSQOLY-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12193 | Ajulemic acid | YCHYFHOSGQABSW-RTBURBONSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB15024 | Apararenone | AZNHWXAFPBYFGH-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12174 | CUDC-101 | PLIVFNIUGLLCEK-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB02388 | Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | UQFRSHRWRKYNDE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB15324 | ORM-13070 C-11 | VGIYMYGMVXPMKV-GWDMYEQXSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB03802 | 1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol | ZGHFWBDHZZKWSI-LITSAYRRSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB12073 | Albaconazole | UHIXWHUVLCAJQL-MPBGBICISA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14644 | Methylprednisolone hemisuccinate | IMBXEJJVJRTNOW-XYMSELFBSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB15450 | PF-05105679 | BXNMZRPTQFVRFA-QGZVFWFLSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12563 | MK-0686 | WZZIQHIQMWJNLU-LLVKDONJSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14632 | Prednisolone tebutate | HUMXXHTVHHLNRO-KAJVQRHHSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB13175 | Rheinanthrone | OZFQHULMMDWMIV-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB08379 | 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one | NOVPOXGMADEKPP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB03916 | 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine | RHOOHUMOHVIXEF-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB11650 | HT-0712 | ABEJDMOBAFLQNJ-NHCUHLMSSA-N | 3CL pro |
| -8.5 | 6cs2 | DB02081 | Bis-Benzamidine | BXYGSMRTHHSAHZ-PMACEKPBSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB13308 | Oxametacin | AJRNYCDWNITGHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB13327 | Picotamide | KYWCWBXGRWWINE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12832 | Prednimustine | HFVNWDWLWUCIHC-GUPDPFMOSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB14918 | Branaplam | STWTUEAWRAIWJG-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6cs2 | DB01938 | L-Histidine Beta Naphthylamide | DKDILZBBFKZMRO-OAHLLOKOSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB13667 | Cefozopran | QDUIJCOKQCCXQY-WHJQOFBOSA-N | spike glycoprotein |
| -8.5 | 6crv | DB08322 | 2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID | VJLMRHSHSNLOGC-NOPZTHQXSA-N | spike glycoprotein |
| -8.5 | 6crv | DB08392 | 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL | ARBUGBBNEFAECO-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB11591 | Bilastine | ACCMWZWAEFYUGZ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB13728 | Halometasone | GGXMRPUKBWXVHE-MIHLVHIWSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB13778 | Cefazedone | VTLCNEGVSVJLDN-MLGOLLRUSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB13816 | Aspoxicillin | BHELIUBJHYAEDK-OAIUPTLZSA-N | spike glycoprotein |
| -8.5 | 6crv | DB08292 | (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE | AQKZYZQONWDDLS-IWQZZHSRSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB01830 | {4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid | SPSGYTWOIGAABK-DQEYMECFSA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB02197 | 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide | NKORVPQBJCGYEC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB11521 | Imidocarb | SCEVFJUWLLRELN-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB13939 | RAD-140 | XMBUPPIEVAFYHO-KPZWWZAWSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12579 | JNJ-37822681 | UVUYWJWYRLJHEN-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12573 | LY-2452473 | IHIWYQYVBNODSV-KRWDZBQOSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB14583 | Segesterone acetate | CKFBRGLGTWAVLG-GOMYTPFNSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12567 | Camicinal | RZKDEGZIFSJVNA-IBGZPJMESA-N | spike glycoprotein |
| -8.5 | 6w4h | DB01212 | Ceftriaxone | VAAUVRVFOQPIGI-SPQHTLEESA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB08179 | methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate | BLXSEOJIXHWXQJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB12058 | Recoflavone | BCPQOBQIVJZOFL-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB11560 | Lesinurad | FGQFOYHRJSUHMR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB04727 | N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA | FGZIONRFHVNRJB-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6m2n | DB09200 | Rivoglitazone | XMSXOLDPMGMWTH-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6cs2 | DB02647 | N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide | LUCORKWTQSQFFU-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4b | DB05263 | Caprospinol | VMOZFSWFUBLCNN-AAPULDEBSA-N | nsp9 |
| -8.5 | 6crv | DB08014 | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | AQILFLLHLFBLLG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6wiq | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | nsp7-nsp8 |
| -8.5 | 7bv1 | DB07145 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | YDMIPBHQKFOFQW-NSYGIPOTSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB08560 | 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE | GULUFDCOGAXLEP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6wiq | DB04764 | [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE | CCLHROFBSWWOQO-UHFFFAOYSA-N | nsp7-nsp8 |
| -8.5 | 7bv1 | DB07144 | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | XZXVRKHUCSXVBM-AWEZNQCLSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4b | DB06240 | Tariquidar | LGGHDPFKSSRQNS-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6m2n | DB09172 | Brifentanil | KKMGCTVJCQYQPV-WBVHZDCISA-N | 3CL pro |
| -8.5 | 6m2n | DB11818 | Retosiban | PLVGDGRBPMVYPB-FDUHJNRSSA-N | 3CL pro |
| -8.5 | 6crv | DB08000 | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE | ZTJGXDGAXGWOGR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07999 | {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID | IXLBOIRSEDMRPI-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB09181 | Trefentanil | RJSCINHYBGMIFT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB09175 | Mirfentanil | BJZZDOLVVLWFHN-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB06882 | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea | HJWMLCDGRWWLAQ-UHFFFAOYSA-N | nsp9 |
| -8.5 | 7bv1 | DB03447 | Uridylyl-2'-5'-Phospho-Adenosine | QARCCHXXGAIRFS-KPKSGTNCSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB09124 | Medrogestone | HCFSGRMEEXUOSS-JXEXPEPMSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB09119 | Eslicarbazepine acetate | QIALRBLEEWJACW-INIZCTEOSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB06938 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide | ZJLSMLDOCGOURY-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6vxx | DB09054 | Idelalisib | IFSDAJWBUCMOAH-HNNXBMFYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB09226 | RP-5063 | PMKMNTBZJOXTJW-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB08177 | (E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID | YZLFZFALAZYTCI-NTEUORMPSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB04238 | N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid | GNANSBQAIRJZPA-XZOQPEGZSA-N | nsp9 |
| -8.5 | 6cs2 | DB02615 | Compound 19 | UZOOIPXOYYJULJ-BLIZRMSTSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB08148 | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine | QOZMRRGNAZNWDN-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6m2n | DB11753 | Rifamycin | HJYYPODYNSCCOU-ODRIEIDWSA-N | 3CL pro |
| -8.5 | 6vxx | DB12029 | Chlorogenic Acid | CWVRJTMFETXNAD-JUHZACGLSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB07175 | N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide | CXQRKICWSCAUGW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB11828 | Neratinib | JWNPDZNEKVCWMY-VQHVLOKHSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB02498 | Carba-Nicotinamide-Adenine-Dinucleotide | DGPLSUKWXXSBCU-VGXGLJSLSA-O | ACE2 area for S-protein binding |
| -8.5 | 6lxt | DB15009 | PF-04937319 | MASKQITXHVYVFL-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6cs2 | DB02505 | N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl) | JJVQUUYZGJWBPW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4b | DB02269 | [4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium | UFKJQTGPBFWMGT-UHFFFAOYSA-O | nsp9 |
| -8.5 | 6crv | DB08123 | N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | GEWPSTLKJDIUHW-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB09383 | Meprednisone | PIDANAQULIKBQS-RNUIGHNZSA-N | 3CL pro |
| -8.5 | 6crv | DB08104 | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | HKODPZBPODONGO-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB03768 | N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3 | WRUVOSYKHXGAQN-GKRYNVPLSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB08099 | 6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine | UOYVKYJWAXJTTE-NRFANRHFSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB03044 | 1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea | MVCOAUNKQVWQHZ-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6wiq | DB03591 | RU82209 | LVZDQVATAQEMCX-NSOVKSMOSA-N | nsp7-nsp8 |
| -8.5 | 6vxx | DB11750 | Clobetasol | FCSHDIVRCWTZOX-DVTGEIKXSA-N | spike glycoprotein |
| -8.5 | 6w4b | DB03231 | 3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide | IXDQOBDHBWEZOH-UHFFFAOYSA-N | nsp9 |
| -8.5 | 6m2n | DB11789 | Hyodeoxycholic Acid | DGABKXLVXPYZII-SIBKNCMHSA-N | 3CL pro |
| -8.5 | 6lxt | DB15031 | Nemorexant | NBGABHGMJVIVBW-QHCPKHFHSA-N | S2 unit |
| -8.5 | 6crv | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB11792 | Mirodenafil | MIJFNYMSCFYZNY-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB11793 | Niraparib | PCHKPVIQAHNQLW-CQSZACIVSA-N | 3CL pro |
| -8.5 | 6crv | DB08059 | Wortmannin | QDLHCMPXEPAAMD-QAIWCSMKSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB11638 | Artenimol | BJDCWCLMFKKGEE-HVDUHBCDSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB07409 | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID | MPBUFKZCEBTBSK-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB07311 | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE | JRSWWYITYIOHOP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB07043 | 7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide | CKLCIJCZOIDJQU-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07422 | (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | MMNRWNREMUMYQG-INIZCTEOSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB00197 | Troglitazone | GXPHKUHSUJUWKP-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB02431 | Cytidine-5'-Triphosphate | PCDQPRRSZKQHHS-XVFCMESISA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07450 | (R)-minalrestat | BMHZAHGTGIZZCT-LJQANCHMSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB06718 | Stanozolol | LKAJKIOFIWVMDJ-IYRCEVNGSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB05653 | IRX-5183 | PNAWUIKCVQSLFG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB09292 | Sacubitril | PYNXFZCZUAOOQC-UTKZUKDTSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB02140 | N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide | ZPFPZRVOBBMZMP-SFHVURJKSA-N | spike glycoprotein |
| -8.5 | 6crv | DB06678 | Esmirtazapine | RONZAEMNMFQXRA-MRXNPFEDSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB02023 | 8-Oxo-2'-Deoxy-Guanosine-5'-Monophosphate | AQIVLFLYHYFRKU-VPENINKCSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07981 | 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1R)-1-(hydroxymethyl)propyl]acetamide | GKJWXEORYGBJFS-QGZVFWFLSA-N | 3CL pro |
| -8.5 | 6vxx | DB02021 | Fidarestat | WAAPEIZFCHNLKK-UFBFGSQYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07638 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL | QJSMFUTULGSHNQ-ZOBUZTSGSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07934 | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | KMUXFASJKPVMGU-HXUWFJFHSA-O | 3CL pro |
| -8.5 | 6vxx | DB01990 | Cholesterol sulfate | BHYOQNUELFTYRT-DPAQBDIFSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07793 | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE | ACSGSLPOHKRZCY-GXTWGEPZSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB09421 | Protirelin | XNSAINXGIQZQOO-SRVKXCTJSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB00502 | Haloperidol | LNEPOXFFQSENCJ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB04405 | 2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid | AQYSXARQCHHHLK-NRFANRHFSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB01938 | L-Histidine Beta Naphthylamide | DKDILZBBFKZMRO-OAHLLOKOSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB01910 | Sinefungin | LMXOHSDXUQEUSF-YECHIGJVSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB04424 | RPR128515 | XFKVLKLCLYJKNF-MZNJEOGPSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB02014 | 5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid | QKHWJUMLYAYZFS-ONEGZZNKSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB09015 | Canrenoic acid | PBKZPPIHUVSDNM-WNHSNXHDSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB08037 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide | MYBGWENAVMIGMM-GIFXNVAJSA-N | 3CL pro |
| -8.5 | 6cs2 | DB00482 | Celecoxib | RZEKVGVHFLEQIL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxx | DB03069 | Cytidine-5'-Diphospho-Beta-D-Xylose | NWSKPSPTJOAICE-OCIMBMBZSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07072 | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE | CNKRZILQBKJWDS-WMFXKJRFSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB08023 | N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine | HYNNWLVWJXWXFO-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB03034 | D-Levofloxacin | GSDSWSVVBLHKDQ-SNVBAGLBSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB15456 | Vericiguat | QZFHIXARHDBPBY-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6w4h | DB07204 | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE | DQIXTEDFNFZMCM-SFHVURJKSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB07249 | N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine | QHIMVPIOWKYPSO-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB02932 | (R)-Bicalutamide | LKJPYSCBVHEWIU-KRWDZBQOSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07250 | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE | HMKLUOPMOJOUDZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07993 | N-3-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE | LPQUIIHPUGDHJK-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB07261 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | NVKDOURNRJCKJE-INIZCTEOSA-N | nsp16 - nsp10 |
| -8.5 | 6lzg | DB13676 | Mosapramine | PXUIZULXJVRBPC-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB02882 | Cyanocinnoline | CUWRVIIPSSUUDJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07988 | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE | HZAXNPDJVFUGDS-BYPYZUCNSA-N | 3CL pro |
| -8.5 | 6w4h | DB07333 | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | KRGKAARWVPUWSY-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07984 | 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1S)-1-(hydroxymethyl)propyl]acetamide | GKJWXEORYGBJFS-KRWDZBQOSA-N | 3CL pro |
| -8.5 | 6cs2 | DB04232 | N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide | DNGGPLKVDUPXFN-GOSISDBHSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB07360 | 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea | JJHXPDTVQKWKHA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB02812 | (2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide | VXDAVYUFYPFGDX-SNPRPXQTSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB12283 | Balapiravir | VKXWOLCNTHXCLF-DXEZIKHYSA-N | 3CL pro |
| -8.5 | 6vxx | DB02611 | Balanol Analog 1 | FZJQHARRQUNVGZ-QZTJIDSGSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB02547 | Guanosine-5'-Diphosphate-Rhamnose | LQEBEXMHBLQMDB-GDJBGNAASA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07847 | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE | ICLOZQFWTRAYPX-LIRRHRJNSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB01873 | Epothilone D | XOZIUKBZLSUILX-GIQCAXHBSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB04434 | Naphthyridine Inhibitor | YRBHUKMLAGQYHS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB06588 | Triphendiol | KQCJZAUNKSGEFM-UNMCSNQZSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB01147 | Cloxacillin | LQOLIRLGBULYKD-JKIFEVAISA-N | spike glycoprotein |
| -8.5 | 6crv | DB11446 | Oxfendazole | BEZZFPOZAYTVHN-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB13113 | JNJ-38877605 | JRWCBEOAFGHNNU-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w4h | DB08521 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | CDMGBJANTYXAIV-HHHXNRCGSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB08534 | 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | ZAIYYXVHGBMLEC-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB08542 | 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione | YUHVBHDSVLKFNI-NJSLBKSFSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07788 | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE | NEQZWEXWOFPKOT-QHSZRYGNSA-N | 3CL pro |
| -8.5 | 6crv | DB11518 | Flunixin | NOOCSNJCXJYGPE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07787 | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE | PNPFDRCIGCUCMN-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB08607 | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE | GXPHKUHSUJUWKP-NTKDMRAZSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB04632 | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | JHHBGNIRSUTQAS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB12419 | HSD-016 | ZWASRJHIEFYJGL-BFUOFWGJSA-N | 3CL pro |
| -8.5 | 6m2n | DB07783 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | GUYYFMCFEPDDFL-OAQYLSRUSA-N | 3CL pro |
| -8.5 | 6crv | DB06272 | Maxacalcitol | DTXXSJZBSTYZKE-ZDQKKZTESA-N | spike glycoprotein |
| -8.5 | 6vxx | DB00991 | Oxaprozin | OFPXSFXSNFPTHF-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB08738 | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one | KWCKZIJGKMCYCI-QFIPXVFZSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB04645 | 5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID | NJJIFGCFUDDBSP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB08739 | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione | ZSXNPAWXICXNGZ-HNNXBMFYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB00956 | Hydrocodone | LLPOLZWFYMWNKH-CMKMFDCUSA-N | spike glycoprotein |
| -8.5 | 6crv | DB11560 | Lesinurad | FGQFOYHRJSUHMR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07764 | FLUORESCIN | MURGITYSBWUQTI-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB08834 | Tauroursodeoxycholic acid | BHTRKEVKTKCXOH-LBSADWJPSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB07763 | (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE | OZZFJGCAYWBVBI-INIZCTEOSA-N | 3CL pro |
| -8.5 | 6vxx | DB00714 | Apomorphine | VMWNQDUVQKEIOC-CYBMUJFWSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB12949 | PF-03382792 | AGMOFKKOVMRGAK-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxx | DB01185 | Fluoxymesterone | YLRFCQOZQXIBAB-RBZZARIASA-N | spike glycoprotein |
| -8.5 | 6w4h | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB08500 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | ZCJBDRSKHARECB-PYTCMNEWSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB01430 | Almitrine | OBDOVFRMEYHSQB-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB01644 | 3,6-dihydroxy-xanthene-9-propionic acid | PFQGLFBMMPZYEU-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB07965 | 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile | OGODDSLNRULSMM-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB00158 | Folic acid | OVBPIULPVIDEAO-LBPRGKRZSA-N | 3CL pro |
| -8.5 | 6w4h | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB01564 | Calusterone | IVFYLRMMHVYGJH-PVPPCFLZSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB01561 | Androstanedione | RAJWOBJTTGJROA-WZNAKSSCSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB08091 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | HIUFYIOMUILESI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB08092 | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide | VMLSXFMXUNVCSK-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB08112 | N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID | IRJUSGUHNFMVCK-OAQYLSRUSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB01544 | Flunitrazepam | PPTYJKAXVCCBDU-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB11395 | Deracoxib | WAZQAZKAZLXFMK-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB12367 | Selurampanel | MCECSFFXUPEPDB-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB08125 | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | BOMPRXSVSIPRDT-PTNGSMBKSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB01536 | Androstenedione | AEMFNILZOJDQLW-QAGGRKNESA-N | spike glycoprotein |
| -8.5 | 6crv | DB06455 | Meclinertant | DYLJVOXRWLXDIG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB02010 | Staurosporine | HKSZLNNOFSGOKW-FYTWVXJKSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxx | DB01501 | Difenoxin | UFIVBRCCIRTJTN-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB01500 | Oxabolone | GXHBCWCMYVTJOW-YGRHGMIBSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB08240 | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE | RQAQWBFHPMSXKR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB01474 | 17alpha-methyl-3beta,17beta-dihydroxyandrost-4-ene | BNUOCVTVOYWNJC-DTMQFJJTSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB07815 | GIBBERELLIN A4 | RSQSQJNRHICNNH-NFMPGMCNSA-N | 3CL pro |
| -8.5 | 6w4h | DB08309 | 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL | AMFGILNPFBVREA-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB06403 | Ambrisentan | OUJTZYPIHDYQMC-LJQANCHMSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB08400 | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | KUEKMTNOUPAOBS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB08499 | N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide | DQXBKUVWJSZHSI-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB06907 | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID | XVNRKPCHMYOPPL-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB06873 | 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE | CSXNPJKDZKLDET-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB06876 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | YJWJKKXGAPWLGT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB02723 | 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide | DHTSUHWLPAEEQB-OALUTQOASA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB12597 | ABL-001 | VOVZXURTCKPRDQ-CQSZACIVSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB03672 | 9-N-Phenylmethylamino-Tacrine | JYJAEHAURXXPSD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB07179 | 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide | DXUJQXZHHGJMFM-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07169 | 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE | GAOOBYJHWAKZKU-LLVKDONJSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07165 | N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE | SOBGXPPOYFFGTK-UGKGYDQZSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB02915 | 4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine | MEZFDQUDLQCVNX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB02917 | N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide | LFGYSFPVLMPUPE-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB03041 | UDP-alpha-D-glucuronic acid | HDYANYHVCAPMJV-LXQIFKJMSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB07148 | (6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one | HPAFVLDARQIHPU-HNNXBMFYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB12124 | Namitecan | IBTISPLPBBHVSU-UVOOVGFISA-N | 3CL pro |
| -8.5 | 6w4h | DB03213 | Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone | VVVXDHROXQUONB-UHFFFAOYSA-P | nsp16 - nsp10 |
| -8.5 | 6w4h | DB03247 | Flavin mononucleotide | FVTCRASFADXXNN-SCRDCRAPSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB06106 | AIT-034 | FBVDVFULNXWYRF-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB08383 | 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole | XBMULXNXJLWLLD-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB08379 | 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one | NOVPOXGMADEKPP-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB03325 | Tyrosyladenylate | MJZAZMKENKZBAJ-QTOWJTHWSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB08981 | Fenbufen | ZPAKPRAICRBAOD-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6lxt | DB15287 | Elismetrep | CWEFDWIKLABKBX-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6crv | DB07134 | 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | LCPRWBWCEGWNKF-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07131 | (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide | DOTBZTLJSXFKCP-IBGZPJMESA-N | spike glycoprotein |
| -8.5 | 6wiq | DB01126 | Dutasteride | JWJOTENAMICLJG-QWBYCMEYSA-N | nsp7-nsp8 |
| -8.5 | 6w4h | DB03642 | Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide | VBPPNJCVXGAZDD-PMACEKPBSA-N | nsp16 - nsp10 |
| -8.5 | 6lxt | DB15275 | GDC-0077 | SGEUNORSOZVTOL-CABZTGNLSA-N | S2 unit |
| -8.5 | 6m2n | DB08345 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | IWUUKHQIKFHWIW-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB02639 | 4-methylumbelliferyl ??-D-glucoside | YUDPTGPSBJVHCN-JZYAIQKZSA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB06733 | Bafilomycin A1 | XDHNQDDQEHDUTM-JQWOJBOSSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB01327 | Cefazolin | MLYYVTUWGNIJIB-BXKDBHETSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB01339 | Vecuronium | BGSZAXLLHYERSY-XQIGCQGXSA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB04689 | 2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | ZXWVCCFKIRBLDP-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB01395 | Drospirenone | METQSPRSQINEEU-HXCATZOESA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB07024 | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE | CEXBEGBNDJVZPK-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB01405 | Temafloxacin | QKDHBVNJCZBTMR-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB12571 | Rimacalib | MYTIJGWONQOOLC-HNNXBMFYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB01669 | Virginiamycin M1 | DAIKHDNSXMZDCU-FQTGFAPKSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB01765 | (5-Oxo-5,6-Dihydro-Indolo[1,2-a]Quinazolin-7-Yl)-Acetic Acid | INSBKYCYLCEBOD-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB06972 | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | TZCXQSNBTXDAJG-QFIPXVFZSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB03507 | 6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One | UXGUZFZBZPPZGL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB08487 | 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | PRMSFVUWLBPPLY-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6lxt | DB15265 | USL-311 | XNUNVQKARNSSEO-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6w4h | DB01948 | 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One | VXIYTVJEIXMAQF-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB06908 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | PAWOPJKHTZCKMT-QFIPXVFZSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB06897 | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol | MMGKIHLBFPJYJL-HNNXBMFYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB07230 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE | DHPCBFMFERFZLR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB02255 | GM6001 | NITYDPDXAAFEIT-DYVFJYSZSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB06889 | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | QSBQXAOOVSQABJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB02331 | (2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid | YBULOUKTPCHXAL-DEOSSOPVSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB06626 | Axitinib | RITAVMQDGBJQJZ-FMIVXFBMSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB02341 | Mdl 101,146 | XQAMVCHQGHAELT-YPAWHYETSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB07217 | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | YVYPYORTKAIUGJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB06597 | Estradiol sulfamate | YXYXCSOJKUAPJI-ZBRFXRBCSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB02510 | '5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine | LKVJEMXWEODCAY-JVEUSOJLSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB12092 | Naftopidil | HRRBJVNMSRJFHQ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB01326 | Cefamandole | OLVCFLKTBJRLHI-AXAPSJFSSA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB02759 | 4-Methylumbelliferyl Chitobiose | UPSFMJHZUCSEHU-JYGUBCOQSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB04040 | N-(2-Morpholin-4-Yl-1-Morpholin-4-Ylmethyl-Ethyl)-3-Nitro-5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yloxy)-Benzamide | MCMWCTMAKPQTPI-WGNYYXNJSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB04244 | (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide | YCDHZDINQZLSRR-DNQXCXABSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB04824 | Phenolphthalein | KJFMBFZCATUALV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB06272 | Maxacalcitol | DTXXSJZBSTYZKE-ZDQKKZTESA-N | nsp16 - nsp10 |
| -8.5 | 6lxt | DB14664 | Difluocortolone pivalate | UWGRWFCLGQWKPR-GSTUPEFVSA-N | S2 unit |
| -8.5 | 6cs2 | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB06944 | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide | RIGZCVNCFXYBEG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB06940 | N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | ZZTMFGIGOADCFX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB04038 | Ergosterol | DNVPQKQSNYMLRS-APGDWVJJSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB14662 | Flunisolide acetate | WEGNFRKBIKYVLC-XTLNBZDDSA-N | S2 unit |
| -8.5 | 6crv | DB06936 | N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide | AEKJCSNKYXWOAQ-INIZCTEOSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB14654 | Bisoxatin acetate | ZCBJDQBSLZREAA-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxx | DB04022 | Guanosine-5',3'-Tetraphosphate | BUFLLCUFNHESEH-UUOKFMHZSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB15401 | Danicopan | PIBARDGJJAGJAJ-NQIIRXRSSA-N | S2 unit |
| -8.5 | 6crv | DB06923 | 2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE | KJUSXMYSVXZFDJ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB06590 | Ceftaroline fosamil | ZCCUWMICIWSJIX-NQJJCJBVSA-N | nsp16 - nsp10 |
| -8.5 | 6lxt | DB14636 | Triciribine phosphate | URLYINUFLXOMHP-HTVVRFAVSA-N | S2 unit |
| -8.5 | 6crv | DB09172 | Brifentanil | KKMGCTVJCQYQPV-WBVHZDCISA-N | spike glycoprotein |
| -8.5 | 6vxx | DB03797 | 3-Aminomethyl-Pyridinium-Adenine-Dinucleotide | HMCRLFVYYFBZEZ-PLEFRAQWSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB12720 | Nivocasan | VYFGDLGHHBUDTQ-ZLGUVYLKSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w4h | DB06809 | Plerixafor | YIQPUIGJQJDJOS-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB09174 | Lofentanil | IMYHGORQCPYVBZ-NLFFAJNJSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB07622 | 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA | KRKQVGZXTNLQSV-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB09183 | Dasabuvir | NBRBXGKOEOGLOI-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB06884 | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE | MFDXHRPPSJRQFX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB08130 | N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine | FPDWDLAITHFTTP-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w4h | DB03907 | N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-Benzamide | UHHBFOLQOQSPLU-WGRQDFERSA-N | nsp16 - nsp10 |
| -8.5 | 6vxx | DB04306 | 5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine | UOJFGEAPSYQDIP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | nsp16 - nsp10 |
| -8.5 | 7bv1 | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-lambda5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB08240 | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE | RQAQWBFHPMSXKR-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxx | DB04834 | Rapacuronium | HTIKWNNIPGXLGM-YLINKJIISA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB04791 | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | DKBAWRNTUZFJKV-BSDSXHPESA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB07055 | 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione | DEOJDUHRJBKATO-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB04432 | ZK-805623 | ZXIHYCYAQUQHSG-UHFFFAOYSA-O | nsp16 - nsp10 |
| -8.5 | 6vxx | DB04796 | Inecalcitol | HHGRMHMXKPQNGF-WNSNRMDMSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB08223 | N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE | IKOPFHKAECNGQI-VQTJNVASSA-N | 3CL pro |
| -8.5 | 6crv | DB07017 | (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one | HYVZYASDRIAOPU-BJOHPYRUSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB04757 | GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE | GKAPYWCOOQBBHV-KXSYMAMXSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB15356 | SLV-334 | LOFDNSDPZTVIIO-VPUSJEBWSA-N | S2 unit |
| -8.5 | 6w4h | DB04862 | Merimepodib | JBPUGFODGPKTDW-SFHVURJKSA-N | nsp16 - nsp10 |
| -8.5 | 6cs2 | DB03916 | 4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine | RHOOHUMOHVIXEF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w4h | DB04867 | Lintitript | ILNRQFBVVQUOLP-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB05197 | Sofalcone | GFWRVVCDTLRWPK-KPKJPENVSA-N | nsp16 - nsp10 |
| -8.5 | 6w4h | DB05327 | Ranirestat | QCVNMNYRNIMDKV-QGZVFWFLSA-N | nsp16 - nsp10 |
| -8.5 | 6m2n | DB12204 | Terbogrel | XUTLOCQNGLJNSA-RGVLZGJSSA-N | 3CL pro |
| -8.5 | 6crv | DB09063 | Ceritinib | VERWOWGGCGHDQE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxx | DB04437 | Cysteine-Methylene-Carbamoyl-1,10-Phenanthroline | ZFGIPRHDRFOMFO-LBPRGKRZSA-N | spike glycoprotein |
| -8.5 | 6w4h | DB05616 | 4'-Methylene-5,8,10-trideazaaminopterin | NAWXUBYGYWOOIX-UHFFFAOYSA-N | nsp16 - nsp10 |
| -8.5 | 6crv | DB06970 | 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE | MZCDQILVXXIMEV-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB06969 | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide | WJUNQSYQHHIVFX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB03962 | Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate | MDKMTCCUJSRQGW-NAJQWHGHSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB06967 | 6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE | MLSVRCGEBXIIQO-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB12218 | AZD-5363 | JDUBGYFRJFOXQC-KRWDZBQOSA-N | 3CL pro |
| -8.5 | 6m2n | DB08137 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide | ZMWYSLJBNJUCRK-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB07457 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | APYXQTXFRIDSGE-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB01070 | Dihydrotachysterol | ILYCWAKSDCYMBB-OPCMSESCSA-N | PL pro |
| -8.5 | 6w9c | DB07469 | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | KAJFGRLMKVNMLH-GOSISDBHSA-N | PL pro |
| -8.5 | 6cs2 | DB11686 | Iferanserin | UXIPFQUBOVWAQW-UEBLJOKOSA-N | ACE2 area for S-protein binding |
| -8.5 | 7bv1 | DB15173 | JNJ-42165279 | YWGYNGCRVZLMCS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB00714 | Apomorphine | VMWNQDUVQKEIOC-CYBMUJFWSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB11765 | PF-04991532 | GKMLFBRLRVQVJO-ZDUSSCGKSA-N | PL pro |
| -8.5 | 6w9c | DB11784 | NRX-1074 | DVBUEXCIEIAXPM-PJUQSVSOSA-N | PL pro |
| -8.5 | 6cs2 | DB11692 | Pavinetant | QYTBBBAHNIWFOD-NRFANRHFSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m3m | DB00348 | Nitisinone | OUBCNLGXQFSTLU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6crv | DB00718 | Adefovir dipivoxil | WOZSCQDILHKSGG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxs | DB12114 | Poziotinib | LPFWVDIFUFFKJU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB15169 | H3B-6527 | MBWRLLRCTIYXDW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB01712 | (3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Phenylalanine Ethyl Ester | NDDSSAGSYFVBTG-SFTDATJTSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB11824 | Tofogliflozin | VWVKUNOPTJGDOB-BDHVOXNPSA-N | PL pro |
| -8.5 | 6crv | DB13855 | Nifuroxazide | YCWSUKQGVSGXJO-NTUHNPAUSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB15071 | Omidenepag isopropyl | VIQCWEGEHRBLAC-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB04582 | IMAZAQUIN | CABMTIJINOIHOD-QGZVFWFLSA-N | 3CL pro |
| -8.5 | 6vxs | DB12064 | BMS-777607 | VNBRGSXVFBYQNN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB01713 | Udp-Alpha-D-Xylopyranose | DQQDLYVHOTZLOR-OCIMBMBZSA-N | spike glycoprotein |
| -8.5 | 6crv | DB00735 | Naftifine | OZGNYLLQHRPOBR-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB12128 | Ulimorelin | WGYPAJVJMXQXTR-ABNZCKJZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB03466 | BMS184394 | AYAJZQYENGWICE-QHCPKHFHSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB12325 | Idasanutlin | TVTXCJFHQKSQQM-LJQIRTBHSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB12306 | Cipargamin | CKLPLPZSUQEDRT-WPCRTTGESA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB07783 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | GUYYFMCFEPDDFL-OAQYLSRUSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB12784 | NS-018 | UQTPDWDAYHAZNT-AWEZNQCLSA-N | nsp9 RNA-replicase |
| -8.5 | 6m2n | DB02738 | Adenosine-5'-Pentaphosphate | WYJWVZZCMBUPSP-KQYNXXCUSA-N | 3CL pro |
| -8.5 | 6w9q | DB03712 | RU85053 | CEKLBQMULVLLTD-VMPREFPWSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB11703 | Acalabrutinib | WDENQIQQYWYTPO-IBGZPJMESA-N | PL pro |
| -8.5 | 6vxs | DB07832 | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde | VKQPTVJDZIILPG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB04596 | 4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-??-D-mannopyranosyl}-D-glucopyranuronic acid | GZJXZKGVHLWBOW-AISSFXTFSA-N | 3CL pro |
| -8.5 | 6vxs | DB12198 | Fosdagrocorat | BVXLAHSJXXSWFF-KEKPKEOLSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB11725 | Latrepirdine | JNODQFNWMXFMEV-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB12149 | S-3304 | YWCLDDLVLSQGSZ-JOCHJYFZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB03571 | 3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide | JMQTXEWNXSPEKX-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB07811 | N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | UBVTVSINEVHYSY-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB00701 | Amprenavir | YMARZQAQMVYCKC-OEMFJLHTSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB07817 | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea | NJPVZSIGDRLLTD-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB02197 | 4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide | NKORVPQBJCGYEC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB15033 | Flortaucipir | GETAAWDSFUCLBS-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB00764 | Mometasone | QLIIKPVHVRXHRI-CXSFZGCWSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB12050 | LY-3039478 | YCBAQKQAINQRFW-UGSOOPFHSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6cs2 | DB11743 | Ipatasertib | GRZXWCHAXNAUHY-NSISKUIASA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB12972 | Sepranolone | AURFZBICLPNKBZ-FZCSVUEKSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB12081 | Anecortave | BCFCRXOJOFDUMZ-ONKRVSLGSA-N | PL pro |
| -8.5 | 6w9c | DB12095 | Telotristat ethyl | MDSQOJYHHZBZKA-GBXCKJPGSA-N | PL pro |
| -8.5 | 6w9q | DB02581 | 5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid | VNZHOIDQBPFEJU-OAQYLSRUSA-N | nsp9 RNA-replicase |
| -8.5 | 6w9q | DB02551 | 6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine | LVNMYQLXKMSQTG-AWEZNQCLSA-N | nsp9 RNA-replicase |
| -8.5 | 6crv | DB13175 | Rheinanthrone | OZFQHULMMDWMIV-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB04669 | TRIAZOLOPYRIMIDINE | YWBFPKPWMSWWEA-UHFFFAOYSA-O | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB12129 | Tideglusib | PMJIHLSCWIDGMD-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB12068 | T-900607 | FSXLOWIFSZNIMV-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB13177 | 4-methylumbelliferyl beta-D-glucoside | YUDPTGPSBJVHCN-YMILTQATSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB01405 | Temafloxacin | QKDHBVNJCZBTMR-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB01621 | Pipotiazine | JOMHSQGEWSNUKU-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB13185 | Oxabolone cipionate | KHKDIUPVDIEHAH-KXLSUQFWSA-N | spike glycoprotein |
| -8.5 | 6crv | DB00831 | Trifluoperazine | ZEWQUBUPAILYHI-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB12207 | Verdinexor | OPAKEJZFFCECPN-XQRVVYSFSA-N | PL pro |
| -8.5 | 6lzg | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB01599 | Probucol | FYPMFJGVHOHGLL-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB12238 | MK-0777 | QKIWQBLNTSQOLY-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB13835 | Caroverine | MSPRUJDUTKRMLM-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB11978 | Glasdegib | SFNSLLSYNZWZQG-VQIMIIECSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lxt | DB12776 | E-6005 | BBTFKAOFCSOZMB-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6m2n | DB02848 | {4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol | ZJESXGUODSBHSK-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB13136 | Fluindione | NASXCEITKQITLD-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB04760 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) | PYFRREJCFXFNRR-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6cs2 | DB11753 | Rifamycin | HJYYPODYNSCCOU-ODRIEIDWSA-N | ACE2 area for S-protein binding |
| -8.5 | 6lzg | DB04759 | PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) | GTBUZLPQANSGGE-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxs | DB12036 | Naquotinib | QKDCLUARMDUUKN-XMMPIXPASA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB13138 | Neladenoson bialanate | WESNEIGKOAXSGX-VXKWHMMOSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB12015 | Alpelisib | STUWGJZDJHPWGZ-LBPRGKRZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB03082 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | CSWQJKHBMACTGB-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6m2n | DB01134 | Desoxycorticosterone pivalate | VVOIQBFMTVCINR-WWMZEODYSA-N | 3CL pro |
| -8.5 | 6w9c | DB11886 | Infigratinib | QADPYRIHXKWUSV-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m3m | DB00328 | Indometacin | CGIGDMFJXJATDK-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6w9q | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6crv | DB13842 | Etofylline nicotinate | ZWIAODBBEZGVPY-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB00897 | Triazolam | JOFWLTCLBGQGBO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB07936 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine | BACSZMCLZIDTIO-IBGZPJMESA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB02836 | Guanosine 5'-Diphosphate 2':3'-Cyclic Monophosphate | NGYWTCOGOZELRS-UUOKFMHZSA-N | 3CL pro |
| -8.5 | 6lzg | DB04724 | (S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE | COVPLULNDBDXTN-KYJUHHDHSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB11912 | Lanopepden | SWHNZGMQMGFQGW-MSOLQXFVSA-N | PL pro |
| -8.5 | 6vxs | DB11995 | Avatrombopag | OFZJKCQENFPZBH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB11687 | E-6201 | MWUFVYLAWAXDHQ-HMNLTAHHSA-N | PL pro |
| -8.5 | 6w9q | DB12742 | Amuvatinib | FOFDIMHVKGYHRU-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6cs2 | DB11511 | Difloxacin | NOCJXYPHIIZEHN-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB12361 | Piclozotan | URMTUEWUIGOJBW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB04791 | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | DKBAWRNTUZFJKV-BSDSXHPESA-N | 3CL pro |
| -8.5 | 6m2n | DB01450 | Dihydroetorphine | BRTSNYPDACNMIP-FAWZKKEFSA-N | 3CL pro |
| -8.5 | 7bv1 | DB02164 | N-Sulfo-Flavin Mononucleotide | ZLPUGFBBLGQWBS-SCRDCRAPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB08878 | Aminopterin | TVZGACDUOSZQKY-LBPRGKRZSA-N | PL pro |
| -8.5 | 6crv | DB00497 | Oxycodone | BRUQQQPBMZOVGD-XFKAJCMBSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB08915 | Aleglitazar | DAYKLWSKQJBGCS-NRFANRHFSA-N | PL pro |
| -8.5 | 6m2n | DB01430 | Almitrine | OBDOVFRMEYHSQB-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 7bv1 | DB15268 | Afabicin | HFYMDQMXVPJNTH-VQHVLOKHSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB08860 | Pitavastatin | VGYFMXBACGZSIL-MCBHFWOFSA-N | PL pro |
| -8.5 | 7bv1 | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB01889 | 16,17-Androstene-3-Ol | KRVXMNNRSSQZJP-PHFHYRSDSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB12854 | BMS-908662 | MMNNTJYFHUDSKL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lzg | DB02152 | K-252a | KOZFSFOOLUUIGY-SOLYNIJKSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxs | DB12848 | PF-04217903 | PDMUGYOXRHVNMO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB00425 | Zolpidem | ZAFYATHCZYHLPB-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6lzg | DB05678 | SLx-4090 | AZUIUVJESCFSLJ-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB01865 | 3-(6-Aminopyridin-3-Yl)-N-Methyl-N-[(1-Methyl-1h-Indol-2-Yl)Methyl]Acrylamide | AKFPMLBVLWZSQX-CSKARUKUSA-N | spike glycoprotein |
| -8.5 | 6crv | DB13012 | AQX-1125 | MDEJTPWQNNMAQF-BVMLLJBZSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB12877 | Oxatomide | BAINIUMDFURPJM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB04792 | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | CDEVHSIVANGYRI-XMTFNYHQSA-N | 3CL pro |
| -8.5 | 6crv | DB00447 | Loracarbef | JAPHQRWPEGVNBT-UTUOFQBUSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB15295 | Tenalisib | HDXDQPRPFRKGKZ-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9q | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6m3m | DB00486 | Nabilone | GECBBEABIDMGGL-RTBURBONSA-N | nucleocapsid protein |
| -8.5 | 6w9c | DB08701 | 2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE | JZCUVYNOSDWORZ-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB07456 | 3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione | LBFDERUQORUFIN-QGZVFWFLSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB08705 | 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE | SVSYJTYGPLVUOZ-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB08742 | 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z) | CEEUUHVULXTFGS-BQXVGYHGSA-N | PL pro |
| -8.5 | 6w9c | DB08746 | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | ZOSSOFIFNGGDKG-GIJQJNRQSA-N | PL pro |
| -8.5 | 6w9c | DB08761 | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione | NGPCLOGFGKJCBP-HOTGVXAUSA-N | PL pro |
| -8.5 | 6cs2 | DB13276 | Idanpramine | HVYGXNYMNHSBGD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB00412 | Rosiglitazone | YASAKCUCGLMORW-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB08794 | Ethyl biscoumacetate | JCLHQFUTFHUXNN-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9q | DB14943 | LGH-447 | VRQXRVAKPDCRCI-ZNMIVQPWSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB07528 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one | HXUZQEYFKAZBPX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB12999 | MK-6186 | FZBAOOQVQXATRL-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB12998 | PF-00217830 | QGNOXTFZOLDODX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB08820 | Ivacaftor | PURKAOJPTOLRMP-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB12988 | LY-518674 | PNHFDVSKDSLUFH-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6cs2 | DB09292 | Sacubitril | PYNXFZCZUAOOQC-UTKZUKDTSA-N | ACE2 area for S-protein binding |
| -8.5 | 6cs2 | DB09319 | Carindacillin | JIRBAUWICKGBFE-MNRDOXJOSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB01861 | Uridine diphosphate glucose | HSCJRCZFDFQWRP-JZMIEXBBSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB11912 | Lanopepden | SWHNZGMQMGFQGW-MSOLQXFVSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB09076 | Umeclidinium | FVTWTVQXNAJTQP-UHFFFAOYSA-N | PL pro |
| -8.5 | 7bv1 | DB15254 | RO-5126766 free base | LMMJFBMMJUMSJS-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB11395 | Deracoxib | WAZQAZKAZLXFMK-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB12523 | Mizolastine | PVLJETXTTWAYEW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB11398 | Diclazuril | ZSZFUDFOPOMEET-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB04643 | 4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID | FYQVFMLCZJZZEM-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB04642 | 7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID | XQTOWNDCHQJXOQ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9q | DB12673 | ATX-914 | ALANRBCCCQEPFZ-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6crv | DB00624 | Testosterone | MUMGGOZAMZWBJJ-DYKIIFRCSA-N | spike glycoprotein |
| -8.5 | 6crv | DB13656 | Eberconazole | MPTJIDOGFUQSQH-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB14941 | BMS-817399 | GTDPZONCGOCXOD-JPYJTQIMSA-N | 3CL pro |
| -8.5 | 6lxt | DB12756 | TAK-901 | WKDACQVEJIVHMZ-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6w9q | DB03966 | Clorobiocin | FJAQNRBDVKIIKK-LFLQOBSNSA-N | nsp9 RNA-replicase |
| -8.5 | 6w9c | DB11622 | Dehydrocholic acid | OHXPGWPVLFPUSM-KLRNGDHRSA-N | PL pro |
| -8.5 | 6vxs | DB12426 | Bitopertin | YUUGYIUSCYNSQR-LBPRGKRZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB11636 | Nomegestrol | KZUIYQJTUIACIG-YBZCJVABSA-N | PL pro |
| -8.5 | 6vxs | DB12410 | Sabarubicin | VQHRZZISQVWPLK-UIRGBLDSSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB11665 | BMS-690514 | CSGQVNMSRKWUSH-IAGOWNOFSA-N | PL pro |
| -8.5 | 6lzg | DB04888 | Bifeprunox | CYGODHVAJQTCBG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxs | DB12388 | Evocalcet | RZNUIYPHQFXBAN-XLIONFOSSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB11582 | Thiocolchicoside | LEQAKWQJCITZNK-AXHKHJLKSA-N | PL pro |
| -8.5 | 6vxs | DB12558 | AEE-788 | OONFNUWBHFSNBT-HXUWFJFHSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB12535 | AC-430 | DCRWIATZWHLIPN-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 7bv1 | DB15232 | Telaglenastat | PRAAPINBUWJLGA-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB13988 | SB-269970 | HWKROQUZSKPIKQ-MRXNPFEDSA-N | spike glycoprotein |
| -8.5 | 6crv | DB01838 | 6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone | GKDYOXMZSXVKPP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB04716 | 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE | VNDWQCSOSCCWIP-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB00540 | Nortriptyline | PHVGLTMQBUFIQQ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB15247 | Vorolanib | KMIOJWCYOHBUJS-HAKPAVFJSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB09209 | Pholcodine | GPFAJKDEDBRFOS-FKQDBXSBSA-N | PL pro |
| -8.5 | 6vxs | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB14914 | Flortaucipir F-18 | GETAAWDSFUCLBS-SJPDSGJFSA-N | 3CL pro |
| -8.5 | 6vxs | DB12640 | CP-609754 | JAHDAIPFBPPQHQ-GDLZYMKVSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB09274 | Artesunate | FIHJKUPKCHIPAT-AHIGJZGOSA-N | PL pro |
| -8.5 | 6lxt | DB12724 | AZD-7295 | MAQDQJWCSSCURR-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxs | DB12635 | Aleplasinin | HSXLMAFNWCSZGP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB00546 | Adinazolam | GJSLOMWRLALDCT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9q | DB04583 | 5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid | LAZPCGBRHLARSI-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6m2n | DB02615 | Compound 19 | UZOOIPXOYYJULJ-BLIZRMSTSA-N | 3CL pro |
| -8.5 | 6vxs | DB12612 | Ozanimod | XRVDGNKRPOAQTN-FQEVSTJZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB01095 | Fluvastatin | FJLGEFLZQAZZCD-JUFISIKESA-N | 3CL pro |
| -8.5 | 7bv1 | DB08749 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | KTRFBFMYAJOXLG-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB01852 | Kaempherol | IYRMWMYZSQPJKC-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB08531 | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine | CVYWYUAQFJMLEO-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9q | DB01988 | 6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine | WFSFNKVFXLIZIY-MHZLTWQESA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB07991 | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | APLJSSOXDWUNGV-GOSISDBHSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6cs2 | DB12379 | Indirubin | CRDNMYFJWFXOCH-BUHFOSPRSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB01198 | Zopiclone | GBBSUAFBMRNDJC-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB08864 | Rilpivirine | YIBOMRUWOWDFLG-ONEGZZNKSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB03451 | 1-alpha, 25-dihydroxyl-20-epi-22-oxa-24, 26 ,27-trihomovitamin D3 | KLZOTDOJMRMLDX-YBBVPDDNSA-N | 3CL pro |
| -8.5 | 7bv1 | DB04608 | 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE | IAUZTOZLTFSMIE-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB14210 | Moexiprilat | CMPAGYDKASJORH-YSSFQJQWSA-N | PL pro |
| -8.5 | 6crv | DB13540 | Isepamicin | UDIIBEDMEYAVNG-ZKFPOVNWSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB14568 | Ivosidenib | WIJZXSAJMHAVGX-DHLKQENFSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB12371 | Siponimod | KIHYPELVXPAIDH-HNSNBQBZSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB08400 | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid | KUEKMTNOUPAOBS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB14626 | Pregnenolone acetate | CRRKVZVYZQXICQ-RJJCNJEVSA-N | PL pro |
| -8.5 | 6cs2 | DB12401 | Bromperidol | RKLNONIVDFXQRX-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB06871 | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | FQMQOMRDADWGJJ-GBESFXJTSA-N | PL pro |
| -8.5 | 6lxt | DB12877 | Oxatomide | BAINIUMDFURPJM-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6w9c | DB06869 | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE | BMHVHOJXEQTIEA-SIKLNZKXSA-N | PL pro |
| -8.5 | 6m2n | DB03742 | Compound 4-D | TWZNCTCQAGRUGQ-RRPNLBNLSA-N | 3CL pro |
| -8.5 | 6w9c | DB14660 | Trenbolone acetate | CMRJPMODSSEAPL-FYQPLNBISA-N | PL pro |
| -8.5 | 6w9c | DB14717 | Nitrazolam | OYRPNABWTHDOFK-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB12659 | SJ-733 | VKCPFWKTFZAOTO-LEWJYISDSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB01208 | Sparfloxacin | DZZWHBIBMUVIIW-DTORHVGOSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB12812 | Palomid 529 | YEAHTLOYHVWAKW-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6crv | DB01025 | Amlexanox | SGRYPYWGNKJSDL-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB00229 | Cefotiam | QYQDKDWGWDOFFU-IUODEOHRSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB12289 | Darexaban | IJNIQYINMSGIPS-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB13036 | Ramatroban | LDXDSHIEDAPSSA-OAHLLOKOSA-N | PL pro |
| -8.5 | 7bv1 | DB08406 | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | NXCCIJQEAKMFGW-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB13651 | Lorajmine | LAHDERDHXJFFJU-ZWNKPRIXSA-N | PL pro |
| -8.5 | 6vxs | DB09030 | Vorapaxar | ZBGXUVOIWDMMJE-QHNZEKIYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB12512 | Verucerfont | VKHVAUKFLBBZFJ-SFHVURJKSA-N | PL pro |
| -8.5 | 6m2n | DB03336 | BIA | KVIVJQWOYSWCCZ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB13866 | Etynodiol | JYILPERKVHXLNF-QMNUTNMBSA-N | PL pro |
| -8.5 | 6w9c | DB12474 | Lynestrenol | YNVGQYHLRCDXFQ-XGXHKTLJSA-N | PL pro |
| -8.5 | 6cs2 | DB12725 | TD-8954 | MZOITCJKGUIQEI-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB13717 | Phenothrin | SBNFWQZLDJGRLK-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB12720 | Nivocasan | VYFGDLGHHBUDTQ-ZLGUVYLKSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB13710 | Metenolone | ANJQEDFWRSLVBR-VHUDCFPWSA-N | spike glycoprotein |
| -8.5 | 6lxt | DB12887 | Tazemetostat | NSQSAUGJQHDYNO-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6vxs | DB08341 | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide | CAUFYHKGKDJMQG-HZPDHXFCSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB14703 | Dexamethasone metasulfobenzoate | TWQWRHIQRAZHPR-XNXCGYEVSA-N | nsp9 RNA-replicase |
| -8.5 | 6lzg | DB03072 | 2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone | LOFDUAJQRUYHBR-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB06856 | 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE | HUYQYLFFFNSAAX-BUXKBTBVSA-N | PL pro |
| -8.5 | 6vxs | DB09075 | Edoxaban | HGVDHZBSSITLCT-JLJPHGGASA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB01153 | Sertaconazole | JLGKQTAYUIMGRK-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB14857 | Avadomide | RSNPAKAFCAAMBH-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB12505 | E-7820 | LWGUASZLXHYWIV-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB15333 | AZD-1386 | FPGNKXCEPARJDI-ZDUSSCGKSA-N | PL pro |
| -8.5 | 6m2n | DB03523 | Brequinar | PHEZJEYUWHETKO-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB13591 | Metopimazine | BQDBKDMTIJBJLA-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB01110 | Miconazole | BYBLEWFAAKGYCD-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB01104 | Sertraline | VGKDLMBJGBXTGI-SJCJKPOMSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB04596 | 4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-β-D-mannopyranosyl}-D-glucopyranuronic acid | GZJXZKGVHLWBOW-AISSFXTFSA-N | 3CL pro |
| -8.5 | 6cs2 | DB12540 | Lecozotan | NRPQELCNMADTOZ-OAQYLSRUSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB01089 | Deserpidine | CVBMAZKKCSYWQR-WCGOZPBSSA-N | spike glycoprotein |
| -8.5 | 6crv | DB13617 | Clorexolone | VPMWFZKOWULPGT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB14673 | Flurandrenolide acetate | AUDPKCCPWYXNEV-XTLNBZDDSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB03509 | 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide | FLYGLPYJEQPCFY-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB15393 | Telatinib | QFCXANHHBCGMAS-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB15406 | GLPG-0974 | MPMKMQHJHDHPBE-RUZDIDTESA-N | PL pro |
| -8.5 | 6crv | DB01097 | Leflunomide | VHOGYURTWQBHIL-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB13635 | Tiracizine | KJAMZCVTJDTESW-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB13638 | Cefbuperazone | SMSRCGPDNDCXFR-CYWZMYCQSA-N | spike glycoprotein |
| -8.5 | 6crv | DB01098 | Rosuvastatin | BPRHUIZQVSMCRT-VEUZHWNKSA-N | spike glycoprotein |
| -8.5 | 6wiq | DB12655 | Patidegib | HZLFFNCLTRVYJG-WWGOJCOQSA-N | nsp7-nsp8 |
| -8.5 | 6vxs | DB08584 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline | BCZUAADEACICHN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6cs2 | DB12491 | Fasiglifam | BZCALJIHZVNMGJ-HSZRJFAPSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB03488 | Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-galactose | NGTCPFGWXMBZEP-NQQHDEILSA-N | 3CL pro |
| -8.5 | 6lzg | DB00430 | Cefpiramide | PWAUCHMQEXVFJR-PMAPCBKXSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB14867 | Parsaclisib | ZQPDJCIXJHUERQ-QWRGUYRKSA-N | PL pro |
| -8.5 | 6vxs | DB08446 | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile | OHQMEDBYNUAVNE-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB15449 | Citarinostat | VLIUIBXPEDFJRF-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB01139 | Cefapirin | UQLLWWBDSUHNEB-CZUORRHYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB08448 | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol | PCBWLKUEKANDCL-INIZCTEOSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB15046 | LY-2881835 | FHRWHNJJQGSCQC-LJAQVGFWSA-N | PL pro |
| -8.5 | 6m2n | DB01326 | Cefamandole | OLVCFLKTBJRLHI-AXAPSJFSSA-N | 3CL pro |
| -8.5 | 6w9c | DB05990 | Obeticholic acid | ZXERDUOLZKYMJM-ZWECCWDJSA-N | PL pro |
| -8.5 | 6w9c | DB05959 | ENMD-1198 | YQJWOUQGXATDAE-ACNBBOPNSA-N | PL pro |
| -8.5 | 6w9c | DB05936 | CVT-6883 | KOYXXLLNCXWUNF-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB03619 | Deoxycholic Acid | KXGVEGMKQFWNSR-LLQZFEROSA-N | 3CL pro |
| -8.5 | 6crv | DB01128 | Bicalutamide | LKJPYSCBVHEWIU-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB05830 | Trestolone | YSGQGNQWBLYHPE-CFUSNLFHSA-N | PL pro |
| -8.5 | 6m2n | DB01532 | alpha-Methylacetylfentanyl | OKTLVZBUKMRPLL-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB05804 | Prasterone sulfate | CZWCKYRVOZZJNM-USOAJAOKSA-N | PL pro |
| -8.5 | 6w9c | DB04704 | 20-hydroxycholesterol | MCKLJFJEQRYRQT-MGNSQDQZSA-N | PL pro |
| -8.5 | 6cs2 | DB12477 | Perfluoro tert-butylcyclohexane | VLTXBOGHSBHSAC-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB03534 | 3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide | AWTBJNJPBKTHEV-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB14810 | AZD-1656 | FJEJHJINOKKDCW-INIZCTEOSA-N | PL pro |
| -8.5 | 6vxs | DB07434 | HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE | TZWQPWGUQCSKDW-GUYCJALGSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB15325 | ONO-8539 | ALLLQQUASFFEKP-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB13463 | Oxetorone | VZVRZTZPHOHSCK-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9q | DB01251 | Gliquidone | LLJFMFZYVVLQKT-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6m2n | DB15204 | Fosravuconazole | SYTNEMZCCLUTNX-NPMXOYFQSA-N | 3CL pro |
| -8.5 | 6cs2 | DB12027 | Serdemetan | CEGSUK1LWKJP-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB01051 | Novobiocin | YJQPYGGHQPGBLI-KGSXXDOSSA-N | nsp9 RNA-replicase |
| -8.5 | 6crv | DB01535 | Carfentanil | YDSDEBIZUNNPOB-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB12743 | Z-160 | VCPMZDWBEWTGNW-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB12802 | Picropodophyllin | YJGVMLPVUAXIQN-HAEOHBJNSA-N | PL pro |
| -8.5 | 6w9c | DB12675 | PF-04995274 | WLLOFQROROXOMO-GOSISDBHSA-N | PL pro |
| -8.5 | 6cs2 | DB12050 | LY-3039478 | YCBAQKQAINQRFW-UGSOOPFHSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB08068 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | YQJVDUKATDECHF-ICSRJNTNSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB12823 | Tecarfarin | QFLNTQDOVCLQKW-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB13317 | Flunoxaprofen | ARPYQKTVRGFPIS-VIFPVBQESA-N | spike glycoprotein |
| -8.5 | 6lzg | DB04330 | Bilh 434 | KNRVCCXHLSHTFW-HGPRPZRGSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB12858 | LY-377604 | RBSGUQYXRDKPAE-QFIPXVFZSA-N | PL pro |
| -8.5 | 6w9q | DB13947 | Testosterone enantate benzilic acid hydrazone | PTVXYACXDYZNID-JKXGKYMWSA-N | nsp9 RNA-replicase |
| -8.5 | 6w9c | DB12939 | Nikkomycin Z | WWJFFVUVFNBJTN-VHDFTHOZSA-N | PL pro |
| -8.5 | 6cs2 | DB12867 | Benperidol | FEBOTPHFXYHVPL-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB08064 | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | NTMADESEDXKNFZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB01405 | Temafloxacin | QKDHBVNJCZBTMR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6m2n | DB01357 | Mestranol | IMSSROKUHAOUJS-MJCUULBUSA-N | 3CL pro |
| -8.5 | 6w9c | DB12670 | Rolofylline | PJBFVWGQFLYWCB-QUYAXPHCSA-N | PL pro |
| -8.5 | 6vxs | DB11878 | Filibuvir | SLVAPEZTBDBAPI-GDLZYMKVSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB12279 | OBP-801 | XFLBOEMFLGLWFF-HDXRNPEWSA-N | PL pro |
| -8.5 | 6crv | DB13821 | Ceftezole | DZMVCVMFETWNIU-LDYMZIIASA-N | spike glycoprotein |
| -8.5 | 6m2n | DB02976 | Uridine-5'-monophosphate 2-deoxy-2-fluoro-galactopyranosyl-monophosphate ester | NGTCPFGWXMBZEP-KBQKSTHMSA-N | 3CL pro |
| -8.5 | 6cs2 | DB11939 | Henagliflozin | HYTPDMFFHVZBOR-VNXMGFANSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB15170 | Evobrutinib | QUIWHXQETADMGN-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6vxs | DB11844 | Pritelivir | IVZKZONQVYTCKC-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB15137 | VK-2809 | LGGPZDRLTDGYSQ-JADSYQMUSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB11952 | Duvelisib | SJVQHLPISAIATJ-ZDUSSCGKSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB01565 | Dihydromorphine | IJVCSMSMFSCRME-KBQPJGBKSA-N | spike glycoprotein |
| -8.5 | 6w9q | DB01879 | (S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid | JOAALZBSMWLOPQ-LJAQVGFWSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB11824 | Tofogliflozin | VWVKUNOPTJGDOB-BDHVOXNPSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lzg | DB02651 | {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid) | BTAGTGWPDROBMG-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB13248 | Phthalylsulfathiazole | PBMSWVPMRUJMPE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB11806 | VTP-194204 | BOOOLEGQBVUTKC-NVQSDHBMSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m3m | DB00298 | Dapiprazole | RFWZESUMWJKKRN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6cs2 | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB12663 | Letrazuril | XQKYUBTUOHHNDV-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB11794 | Berzosertib | JZCWLJDSIRUGIN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB04575 | Quinestrol | PWZUUYSISTUNDW-VAFBSOEGSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6lxt | DB12899 | TT-301 | ZPJGUEPHFXPAQF-UHFFFAOYSA-N | S2 unit |
| -8.5 | 6crv | DB13351 | Piperidolate | KTHVBAZBLKXIHZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB13355 | Visnadine | GVBNSPFBYXGREE-CXWAGAITSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB15075 | 4-demethyl-4-cholesteryloxycarbonylpenclomedine | ZJUUIXYKTPSIOH-LEZJFEBPSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB12211 | PSI-697 | DIEPFYNZGUUVHD-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB13783 | Acemetacin | FSQKKOOTNAMONP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB13374 | Vincamine | RXPRRQLKFXBCSJ-GIVPXCGWSA-N | PL pro |
| -8.5 | 6w9c | DB13386 | Epimestrol | UHQGCIIQUZBJAE-RRQVMCLOSA-N | PL pro |
| -8.5 | 6m2n | DB04037 | N,N-Bis(4-Chlorobenzyl)-1h-1,2,3,4-Tetraazol-5-Amine | UOUXILZUBDIWQU-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB01418 | Acenocoumarol | VABCILAOYCMVPS-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB09298 | Silibinin | SEBFKMXJBCUCAI-HKTJVKLFSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB01443 | 19-Nor-5-androstenedione | WELNRNVZXWUOGT-QXUSFIETSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB15156 | ABT-072 | XMZSTQYSBYEENY-RMKNXTFCSA-N | PL pro |
| -8.5 | 6w9c | DB15141 | Deutivacaftor | PURKAOJPTOLRMP-ASMGOKTBSA-N | PL pro |
| -8.5 | 6w9c | DB13094 | Pruvanserin | AQRLDDAFYYAIJP-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB12780 | Quinfamide | SBJGFIXQRZOVTO-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB03239 | 3',5'-Dinitro-N-Acetyl-L-Thyronine | VZSQTOXQXPKQJX-ZDUSSCGKSA-N | 3CL pro |
| -8.5 | 6w9c | DB13579 | Mepixanox | PYSOHOOUXFWCFF-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB12764 | ABC-294640 | CAOTVXGYTWCKQE-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB15316 | Florasulam | QZXATCCPQKOEIH-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB13759 | Fenpiverinium | QDIYJDPBMZUZEH-UHFFFAOYSA-O | spike glycoprotein |
| -8.5 | 6w9c | DB15149 | Futibatinib | KEIPNCCJPRMIAX-HNNXBMFYSA-N | PL pro |
| -8.5 | 7bv1 | DB08569 | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE | VLPMRZSKJUTRBQ-IBGZPJMESA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxs | DB11363 | Alectinib | KDGFLJKFZUIJMX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB15221 | PF-06260414 | ZKAVFOXYJCREBQ-SNVBAGLBSA-N | PL pro |
| -8.5 | 6w9q | DB13953 | Estradiol benzoate | UYIFTLBWAOGQBI-BZDYCCQFSA-N | nsp9 RNA-replicase |
| -8.5 | 6lzg | DB04258 | Seocalcitol | LVLLALCJVJNGQQ-SEODYNFXSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6m2n | DB15246 | Salvianolic acid A | YMGFTDKNIWPMGF-UCPJVGPRSA-N | 3CL pro |
| -8.5 | 6crv | DB00950 | Fexofenadine | RWTNPBWLLIMQHL-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB12141 | Gilteritinib | GYQYAJJFPNQOOW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB11591 | Bilastine | ACCMWZWAEFYUGZ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB04086 | 2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside | WFVCNOHOODVBQK-IUBYCILNSA-N | 3CL pro |
| -8.5 | 6m2n | DB03181 | 2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione | RXQAVKWRCZYGMV-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB01470 | alpha-methylthiofentanyl | YPOXDUYRRSUFFG-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB00955 | Netilmicin | CIDUJQMULVCIBT-MQDUPKMGSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB15292 | Foliglurax | ZTEDNASHAWNBKQ-NCELDCMTSA-N | PL pro |
| -8.5 | 6m2n | DB04064 | Nogalaviketone | QHNJNOBWURJIEK-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB13396 | Neocitrullamon | PAJBBDCZSMDSFL-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB12174 | CUDC-101 | PLIVFNIUGLLCEK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB11431 | Moxidectin | YZBLFMPOMVTDJY-LSGXYNIPSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB13327 | Picotamide | KYWCWBXGRWWINE-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB13399 | Terguride | JOAHPSVPXZTVEP-YXJHDRRASA-N | spike glycoprotein |
| -8.5 | 6crv | DB01451 | 1-Androstenedione | WJIQCDPCDVWDDE-WZNAKSSCSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB01224 | Quetiapine | URKOMYMAXPYINW-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6cs2 | DB12108 | Taselisib | BEUQXVWXFDOSAQ-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB08582 | N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide | DELARNBPJXTDBD-IYBDPMFKSA-N | PL pro |
| -8.5 | 6w9c | DB11491 | Sarafloxacin | XBHBWNFJWIASRO-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB07405 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE | GIZYIOOBBUHOBS-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB07975 | 2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | VTGXLCZUWFYELR-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB06420 | Annamycin | CIDNKDMVSINJCG-GKXONYSUSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB00179 | Masoprocol | HCZKYJDFEPMADG-TXEJJXNPSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB00967 | Desloratadine | JAUOIFJMECXRGI-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6crv | DB02071 | WAY-151693 | AINJYWXKBKRQSX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6lzg | DB06595 | Midostaurin | BMGQWWVMWDBQGC-IIFHNQTCSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6cs2 | DB13422 | Nicofuranose | FUWFSXZKBMCSKF-ZASNTINBSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB01513 | 17Alpha-methyl-3beta,17beta-dihydroxy-5alpha-androstane | QGKQXZFZOIQFBI-UYEYMFBJSA-N | 3CL pro |
| -8.5 | 6w9q | DB08010 | (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime | DDHASJXGNUWZTM-ZLEWNXFRSA-N | nsp9 RNA-replicase |
| -8.5 | 6cs2 | DB08706 | (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID | RNEACARJKXYVND-MZLJFPOFSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB15346 | GLPG-1205 | IRBAWVGZNJIROV-SFHVURJKSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6cs2 | DB08980 | Fendiline | NMKSAYKQLCHXDK-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB02104 | 2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine | PEGMMEYCSOZKIT-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB13640 | Acetoxolone | FTQDJVZNPJRVPG-XWEVEMRCSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB00578 | Carbenicillin | FPPNZSSZRUTDAP-UWFZAAFLSA-N | nucleocapsid protein |
| -8.5 | 6w9c | DB08345 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE | IWUUKHQIKFHWIW-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB07783 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | GUYYFMCFEPDDFL-OAQYLSRUSA-N | PL pro |
| -8.5 | 7bv1 | DB02519 | Indirubin-5-Sulphonate | IHBOEHLUIBMBMY-YPKPFQOOSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB00587 | Cinalukast | BZMKNPGKXJAIDV-VAWYXSNFSA-N | nucleocapsid protein |
| -8.5 | 6m3m | DB00665 | Nilutamide | XWXYUMMDTVBTOU-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB06472 | Fradafiban | IKZACQMAVUIGPY-HOTGVXAUSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB07084 | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | YHKGWOJTUMJPNW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB03944 | 5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One | IZLRMTJLQCLMKF-CYBMUJFWSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB12740 | CC-115 | GMYLVKUGJMYTFB-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m2n | DB04971 | Reglitazar | QBQLYIISSRXYKL-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 7bv1 | DB13520 | Metergoline | WZHJKEUHNJHDLS-QTGUNEKASA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB02524 | 2',3'-O-{4-[Hydroxy(oxido)-??5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) | XFMMHXLUHKBKQE-UHEGPQQHSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB15408 | Silmitasertib | MUOKSQABCJCOPU-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m2n | DB02008 | 1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine | JHSHXKJSPVHPCJ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9c | DB07949 | ({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID | BFQRPTKOSYMPOL-LALPNIDTSA-N | PL pro |
| -8.5 | 6w9c | DB07776 | Flavone | VHBFFQKBGNRLFZ-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB01570 | Ohmefentanyl | FRPRNNRJTCONEC-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB00957 | Norgestimate | KIQQMECNKUGGKA-NMYWJIRASA-N | 3CL pro |
| -8.5 | 6cs2 | DB09020 | Bisacodyl | KHOITXIGCFIULA-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB14029 | Furafylline | HMZQULPVMKITSP-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB07247 | [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | SRPOHNDQBDHONJ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lzg | DB06510 | Muraglitazar | IRLWJILLXJGJTD-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6vxs | DB06314 | SGX-523 | BCZUAADEACICHN-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB14995 | NP-G2-044 | XLLRLAABUFOJPC-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6cs2 | DB09017 | Brotizolam | UMSGKTJDUHERQW-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9q | DB07691 | 2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | GYILVHHTCYNIOS-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6cs2 | DB13649 | Proquazone | JTIGKVIOEQASGT-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB07229 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE | MINVOLKUPZPDNX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB15435 | BMS-986158 | KGERZPVQIRYWRK-GDLZYMKVSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB14993 | Pyrotinib | SADXACCFNXBCFY-IYNHSRRRSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB07702 | 17alpha-Estriol | PROQIPRRNZUXQM-PNVOZDDCSA-N | PL pro |
| -8.5 | 6crv | DB12792 | Boscalid | WYEMLYFITZORAB-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6m3m | DB00674 | Galantamine | ASUTZQLVASHGKV-JDFRZJQESA-N | nucleocapsid protein |
| -8.5 | 6vxs | DB15407 | Acalisib | DOCINCLJNAXZQF-LBPRGKRZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB15396 | PF-114 | SLIVDYMORZGPLW-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB14217 | Quinaprilat | FLSLEGPOVLMJMN-YSSFQJQWSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lzg | DB07041 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide | FDJWFDQRPKKBFA-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6lxt | DB12658 | AFN-1252 | QXTWSUQCXCWEHF-JXMROGBWSA-N | S2 unit |
| -8.5 | 6w9q | DB11526 | Masitinib | WJEOLQLKVOPQFV-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6m2n | DB05288 | Anecortave acetate | YUWPMEXLKGOSBF-GACAOOTBSA-N | 3CL pro |
| -8.5 | 6crv | DB00216 | Eletriptan | PWVXXGRKLHYWKM-LJQANCHMSA-N | spike glycoprotein |
| -8.5 | 6w9q | DB12280 | AZD-5423 | FCNQMDSJHADDFT-WNSKOXEYSA-N | nsp9 RNA-replicase |
| -8.5 | 6crv | DB12779 | Higenamine | WZRCQWQRFZITDX-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9q | DB07834 | N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | FOHZGCHKLPIBBX-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6cs2 | DB09034 | Suvorexant | JYTNQNCOQXFQPK-MRXNPFEDSA-N | ACE2 area for S-protein binding |
| -8.5 | 6vxs | DB07014 | 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole | TUTZKAQTSPMEBI-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB08233 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | RFSDQDHHBKYQOD-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB06942 | N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide | RNZKCCPFUWHBFY-IBGZPJMESA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB12200 | Tivantinib | UCEQXRCJXIVODC-PMACEKPBSA-N | nsp9 RNA-replicase |
| -8.5 | 6w9q | DB08995 | Diosmin | GZSOSUNBTXMUFQ-YFAPSIMESA-N | nsp9 RNA-replicase |
| -8.5 | 6m2n | DB14624 | Nandrolone hydrogen sulfate | SKZMVWBZTQNCKW-IZPLOLCNSA-N | 3CL pro |
| -8.5 | 6vxs | DB06673 | Almorexant | DKMACHNQISHMDN-RPLLCQBOSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB08042 | N-4-methyl-N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | FLXGQDHYCWXTAI-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB02266 | Flufenamic Acid | LPEPZBJOKDYZAD-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB15031 | Nemorexant | NBGABHGMJVIVBW-QHCPKHFHSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB14637 | Fluprednisolone acetate | CYMBAKFTWRNHPS-APRQOCPKSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB08833 | Taurochenodeoxycholic acid | BHTRKEVKTKCXOH-BJLOMENOSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9c | DB07872 | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | IYGIXVNAMZPBDK-CQSZACIVSA-N | PL pro |
| -8.5 | 7bv1 | DB03124 | 5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid | LBAHOXPDTNUYCX-INIZCTEOSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxs | DB06875 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE | NSSOSHDCWCMNDM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB08001 | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID | DQSRCEFDWMQCCV-GQCTYLIASA-N | PL pro |
| -8.5 | 6m2n | DB01540 | 17alpha-methyl-4-hydroxynandrolone | CLNUZOCYKSHICX-FAHHUNKHSA-N | 3CL pro |
| -8.5 | 6crv | DB02292 | Irosustat | DSLPMJSGSBLWRE-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB07988 | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE | HZAXNPDJVFUGDS-BYPYZUCNSA-N | PL pro |
| -8.5 | 6m2n | DB14633 | Prednisolone hemisuccinate | APGDTXUMTIZLCJ-CGVGKPPMSA-N | 3CL pro |
| -8.5 | 6w9c | DB07983 | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID | CXBFZYKAVCAPSV-UHFFFAOYSA-N | PL pro |
| -8.5 | 7bv1 | DB03159 | CRA_8696 | GAVRMVQHHVMXFD-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB07977 | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID | CGNHUSCKOHDSMR-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB07882 | 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID | VFIZFTGABDUGCF-UPVHCHBVSA-N | PL pro |
| -8.5 | 6m3m | DB00613 | Amodiaquine | OVCDSSHSILBFBN-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6crv | DB02333 | Deoxyuridine-5'-Triphosphate | AHCYMLUZIRLXAA-SHYZEUOFSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB06831 | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE | UMMYTDJYDSTEMB-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6crv | DB14641 | Estriol tripropionate | ONMZMZJEZHMWQL-REUUDLSRSA-N | spike glycoprotein |
| -8.5 | 7bv1 | DB03186 | U-Pi-a-Pi | JIAJERGOUFOENU-LNAOLWRRSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6vxs | DB14942 | BMS-986141 | KEEBLYWBELVGPQ-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB01569 | Formebolone | AMVODTGMYSRMNP-GNIMZFFESA-N | 3CL pro |
| -8.5 | 6vxs | DB14935 | Serabelisib | BLGWHBSBBJNKJO-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9q | DB08512 | 6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | MCEZMMDIEXECTI-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6m2n | DB14659 | Melengestrol acetate | UDKABVSQKJNZBH-DWNQPYOZSA-N | 3CL pro |
| -8.5 | 6m2n | DB01532 | ??-Methylacetylfentanyl | OKTLVZBUKMRPLL-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6w9q | DB08268 | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | SPVJRTJUEVXOMS-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6w9c | DB07816 | N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID | KGHMYJFHUHFOGL-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB07002 | 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile | SZUVGMCKKLJAFX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6w9c | DB07831 | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | SHSORWZDEKFFLP-UHFFFAOYSA-N | PL pro |
| -8.5 | 6cs2 | DB08930 | Dolutegravir | RHWKPHLQXYSBKR-BMIGLBTASA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB12689 | Azeliragon | KJNNWYBAOPXVJY-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB07834 | N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | FOHZGCHKLPIBBX-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxs | DB14878 | Liafensine | VCIBGDSRPUOBOG-QFIPXVFZSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6vxs | DB06995 | N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide | USBSTVPJNQLYEM-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB01975 | AMPCPR | ZPZRETFSCSWNDT-DBXCYWGHSA-N | 3CL pro |
| -8.5 | 6crv | DB02189 | 2',3'-Dideoxyadenosine-5'-Triphosphate | OAKPWEUQDVLTCN-NKWVEPMBSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB08153 | (5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE | VZTAZMSAAIUZJV-HWKANZROSA-N | PL pro |
| -8.5 | 6m2n | DB01946 | 3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione | UQHKJRCFSLMWIA-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6m2n | DB01564 | Calusterone | IVFYLRMMHVYGJH-PVPPCFLZSA-N | 3CL pro |
| -8.5 | 6crv | DB12721 | RO-5028442 | QZXVLRCMAHJVIP-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB14653 | Clocortolone caproate | MMTRTBFDFNRBQO-ANHDKODLSA-N | spike glycoprotein |
| -8.5 | 6w9q | DB09074 | Olaparib | FDLYAMZZIXQODN-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 7bv1 | DB02704 | (2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide | GQKBYZPVKVXMJL-LAFNQVRVSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 7bv1 | DB14860 | Ensartinib | GLYMPHUVMRFTFV-QLFBSQMISA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6m3m | DB00643 | Mebendazole | OPXLLQIJSORQAM-UHFFFAOYSA-N | nucleocapsid protein |
| -8.5 | 6w9c | DB08095 | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA | ZWYFTKPEHRQCCW-HNNXBMFYSA-N | PL pro |
| -8.5 | 6vxs | DB15187 | Dubermatinib | YUAALFPUEOYPNX-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB01941 | 6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl]Pyridine-3-Carboxylic Acid | SLXTWXQUEZSSTJ-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 7bv1 | DB05129 | Elsamitrucin | MGQRRMONVLMKJL-KWJIQSIXSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6w9c | DB08056 | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine | KKYYLKPGILUPOA-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB14653 | Clocortolone caproate | MMTRTBFDFNRBQO-ANHDKODLSA-N | 3CL pro |
| -8.5 | 6vxs | DB13993 | MRK-409 | GOIFCXRIFSYPFG-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 7bv1 | DB04006 | [2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone | WUGJIPFLBOATGL-UHFFFAOYSA-N | nsp12-nsp7-nsp8 |
| -8.5 | 6crv | DB14196 | N-Cyclohexyl-N'-phenyl-1,4-phenylenediamine | ZRMMVODKVLXCBB-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB08519 | N-4-(3-methyl-1H-indazol-6-yl)-N-2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine | SQQAPOSROFWHIB-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB02019 | Acetyl Dithranol | IXLRLZOYKJERRA-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB06011 | AMG-222 | NVSWJKWHLUTHLP-CPJSRVTESA-N | ribose phosphatase of NSP3 |
| -8.5 | 6cs2 | DB13710 | Metenolone | ANJQEDFWRSLVBR-VHUDCFPWSA-N | ACE2 area for S-protein binding |
| -8.5 | 6crv | DB14129 | Macelignan | QDDILOVMGWUNGD-UONOGXRCSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB08513 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | PAIQRYUOBBCBSE-UHFFFAOYSA-N | PL pro |
| -8.5 | 6crv | DB12840 | Pirnabine | AADNQNOXNWEYHS-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB07612 | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE | XQKJVNGGVLHNLA-UHFFFAOYSA-N | PL pro |
| -8.5 | 6m2n | DB04885 | Cilansetron | NCNFDKWULDWJDS-OAHLLOKOSA-N | 3CL pro |
| -8.5 | 6w9q | DB11799 | Bictegravir | SOLUWJRYJLAZCX-LYOVBCGYSA-N | nsp9 RNA-replicase |
| -8.5 | 6w9q | DB07397 | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide | ITADELAVAWJACR-NSHDSACASA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB13927 | anle138b | RCQIIBJSUWYYFU-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB14765 | Rivoceranib | WPEWQEMJFLWMLV-UHFFFAOYSA-N | 3CL pro |
| -8.5 | 6lzg | DB07124 | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE | CCIACUJJBPSOHE-KRWDZBQOSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB08572 | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE | YBKLJTXDSBEVRV-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB07540 | 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE | AKFVRSQELXTCFW-JYRVWZFOSA-N | PL pro |
| -8.5 | 6m2n | DB14769 | Pamiparib | DENYZIUJOTUUNY-MRXNPFEDSA-N | 3CL pro |
| -8.5 | 6cs2 | DB09079 | Nintedanib | XZXHXSATPCNXJR-ZIADKAODSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB14802 | ONO-2952 | ZBQMTQGDBFZUBG-NRFANRHFSA-N | 3CL pro |
| -8.5 | 6vxs | DB13606 | Phenazocine | ZQHYKVKNPWDQSL-KNXBSLHKSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB14799 | PF-06821497 | RXCVUHMIWHRLDF-HXUWFJFHSA-N | 3CL pro |
| -8.5 | 6vxs | DB13499 | Cefsulodin | SYLKGLMBLAAGSC-QLVMHMETSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lzg | DB06367 | Relacatib | BWYBBMQLUKXECQ-GIVPXCGWSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6w9c | DB08561 | BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE | PLBINCOCFGQAJM-UHFFFAOYSA-N | PL pro |
| -8.5 | 6vxx | DB00213 | Pantoprazole | IQPSEEYGBUAQFF-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6w9c | DB07643 | 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine | XVLUVRFYGVJKGJ-UHFFFAOYSA-N | PL pro |
| -8.5 | 6w9c | DB07638 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL | QJSMFUTULGSHNQ-ZOBUZTSGSA-N | PL pro |
| -8.5 | 6m2n | DB01591 | Solifenacin | FBOUYBDGKBSUES-VXKWHMMOSA-N | 3CL pro |
| -8.5 | 6w9q | DB07362 | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea | UOLCZAFAGDOUFX-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6lzg | DB01876 | Bis(5-Amidino-2-Benzimidazolyl)Methanone | VVVXDHROXQUONB-UHFFFAOYSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB12645 | Givinostat | YALNUENQHAQXEA-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB02450 | 2-Benzo[1,3]Dioxol-5-Ylmethyl-3-Benzyl-Succinic Acid | ASEJDWRSZYAIOT-GJZGRUSLSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB09166 | Etizolam | VMZUTJCNQWMAGF-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6w9q | DB12303 | Motolimod | QSPOQCXMGPDIHI-UHFFFAOYSA-N | nsp9 RNA-replicase |
| -8.5 | 6vxs | DB06090 | Bradanicline | OXKRFEWMSWPKKV-GHTZIAJQSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lzg | DB07107 | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | SGHXFHRRWFLILP-XJDXJNMNSA-N | Spike - human ACE2-SLC6A19 complex |
| -8.5 | 6crv | DB02455 | Fluoresceinylthioureido | VHJFQSRUDVDTEO-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB09073 | Palbociclib | AHJRHEGDXFFMBM-UHFFFAOYSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB01705 | Bis(5-Amidino-Benzimidazolyl)Methane | QZKOOEFIMWKZPK-UHFFFAOYSA-Q | 3CL pro |
| -8.5 | 6crv | DB14725 | Cefamandole nafate | RRJHESVQVSRQEX-SUYBPPKGSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB13307 | Proscillaridin | MYEJFUXQJGHEQK-ALRJYLEOSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6lxt | DB12952 | Methylprednisone | SVYCRJXQZUCUND-PQXSVQADSA-N | S2 unit |
| -8.5 | 6crv | DB14734 | Cannabigerol | QXACEHWTBCFNSA-SFQUDFHCSA-N | spike glycoprotein |
| -8.5 | 6crv | DB00243 | Ranolazine | XKLMZUWKNUAPSZ-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB12914 | MGL-3196 | FDBYIYFVSAHJLY-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6crv | DB12651 | Bardoxolone | TXGZJQLMVSIZEI-UQMAOPSPSA-N | spike glycoprotein |
| -8.5 | 6vxs | DB05936 | CVT-6883 | KOYXXLLNCXWUNF-UHFFFAOYSA-N | ribose phosphatase of NSP3 |
| -8.5 | 6m2n | DB04886 | Calanolide A | NIDRYBLTWYFCFV-FMTVUPSXSA-N | 3CL pro |
| -8.5 | 6w9q | DB11775 | PF-03758309 | AYCPARAPKDAOEN-LJQANCHMSA-N | nsp9 RNA-replicase |
| -8.5 | 6crv | DB01977 | 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine | AECPTICWHONWNW-UHFFFAOYSA-N | spike glycoprotein |
| -8.5 | 6cs2 | DB09042 | Tedizolid phosphate | QCGUSIANLFXSGE-GFCCVEGCSA-N | ACE2 area for S-protein binding |
| -8.5 | 6m2n | DB01720 | (2z)-2-(Benzoylamino)-3-[4-(2-Bromophenoxy)Phenyl]-2-Propenoic Acid | WLPJLQNKCJWAFL-RGEXLXHISA-N | 3CL pro |
| -8.5 | 6vxx | DB00153 | Ergocalciferol | MECHNRXZTMCUDQ-RKHKHRCZSA-N | spike glycoprotein |
| -8.5 | 6crv | DB12612 | Ozanimod | XRVDGNKRPOAQTN-FQEVSTJZSA-N | spike glycoprotein |
© RNASA-IMEDIR | Created by Cristian R Munteanu
