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Literature summary for 3.4.21.98 extracted from
- Macrocyclic inhibitors of HCV NS3-4A protease: design and structure activity relationship (2007), Curr. Top. Med. Chem., 7, 1290-1301.
Crystallization (Commentary)
| Crystallization (Comment) | Organism |
|---|---|
| shallow featureless active site, highly solvent exposed | Hepacivirus C |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (10R,13R)-N-(1-[[(2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10-cyclohexyl-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide | - |
Hepacivirus C |  |
| (10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-oxo-2,7-dioxa-8-thia-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide 8,8-dioxide | - |
Hepacivirus C | |
| (10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2,7-dioxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide | - |
Hepacivirus C | |
| (10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide | - |
Hepacivirus C | |
| (10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide | - |
Hepacivirus C | |
| (11R,14R)-N-(1-[[(2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-cyclohexyl-9,12-dioxo-2-oxa-10,13-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-14-carboxamide | - |
Hepacivirus C | |
| (11S,14S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-cyclohexyl-9,12-dioxo-1,10,13,17-tetraazabicyclo[14.2.1]nonadeca-16(19),17-diene-14-carboxamide | - |
Hepacivirus C | |
| (1R)-1-([(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]heptanoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolyl]amino)-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
| (1R)-2-but-3-en-1-yl-1-[[(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]hept-6-enoyl]-4-(quinolin-4-yloxy)-L-prolyl]amino]cyclopropanecarboxylic acid | - |
Hepacivirus C | |
| (2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2,10-dioxa-13-azatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-5,16-dioxo-2-(quinolin-4-yloxy)-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,10Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-2-[(8-chloro-2-ethoxyquinolin-4-yl)oxy]-6-[[(cyclopentyloxy)carbonyl]amino]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-([7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxyquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[(4-fluoro-1,3-dihydro-2H-isoindol-2-yl)carbonyl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[2-(1H-imidazol-1-yl)-7-methoxyquinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(1H-pyrazol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(1H-pyrrol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(4-methyl-1H-pyrazol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,12Z,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[(5-ethoxythieno[3,2-b]pyridin-7-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2R,6S,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| (2S)-([N-[3-([[(10S,13S)-10-cyclohexyl-8,11-dioxo-2,7-dioxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-13-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2S)-([N-[3-([[(3S,18S)-18-cyclohexyl-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinolin-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2S)-([N-[3-([[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2S)-([N-[3-([[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2S)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[17.2.2.13,7]tetracosa-1(21),3(24),4,6,19,22-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2S)-[([[3-([[(6S,8S,9R,10S,13S)-13-cyclohexyl-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-trien-10-yl]carbonyl]amino)-2-oxohexanoyl]amino]acetyl)amino](phenyl)ethanoic acid | - |
Hepacivirus C | |
| (2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide | - |
Hepacivirus C | |
| (2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,16-trioxo-1,4,10-triazacyclohexadecane-5-carboxamide | - |
Hepacivirus C | |
| (2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,17-trioxo-1,4,10-triazacycloheptadecane-5-carboxamide | - |
Hepacivirus C | |
| (2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,18-trioxo-1,4,10-triazacyclooctadecane-5-carboxamide | - |
Hepacivirus C | |
| (3R,12S,16R,17aS)-12-[(tert-butoxycarbonyl)amino]-16-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-1,13-dioxohexadecahydro-1H-pyrrolo[1,2-a][1,4]diazacyclopentadecine-3-carboxylic acid | - |
Hepacivirus C | |
| (3S,12S,16R,17aS)-12-[(tert-butoxycarbonyl)amino]-16-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-1,13-dioxohexadecahydro-1H-pyrrolo[1,2-a][1,4]diazacyclopentadecine-3-carboxylic acid | - |
Hepacivirus C | |
| (3S,18S)-18-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinoline-3-carboxamide | - |
Hepacivirus C | |
| (3S,6S)-6-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-3-carboxamide | - |
Hepacivirus C | |
| (5S,8S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5-cyclohexyl-3,6,14-trioxo-4,7,13-triazabicyclo[14.2.2]icosa-1(18),16,19-triene-8-carboxamide | - |
Hepacivirus C | |
| (5S,8S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5-cyclohexyl-3,6,14-trioxo-4,7,13-triazabicyclo[14.3.1]icosa-1(20),16,18-triene-8-carboxamide | - |
Hepacivirus C | |
| (5S,8S,10R)-5-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide | - |
Hepacivirus C | |
| (6R,8S,11S)-11-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-8-carboxamide | - |
Hepacivirus C | |
| (6S,11S,20S)-11-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-20-carboxamide | - |
Hepacivirus C | |
| (6S,8S,9R,10S,13S)-13-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-triene-10-carboxamide | - |
Hepacivirus C | |
| (7R,9S)-12-(2,3-dihydro-1H-inden-1-yl)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2-oxa-6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-6-(phenylsulfonyl)-2-oxa-6,10,13-triazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-12-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-12-(1-methylethyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-12-(2-methylpropyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7R,9S,12S)-N-(1-[[(2-[[(S)-cyano(phenyl)methyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| (7S,12S,21S)-12-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-21-carboxamide | - |
Hepacivirus C | |
| 3-[(2R,5S,8S)-8-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-5-cyclohexyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecan-2-yl]propanoic acid | - |
Hepacivirus C | |
| 3-[(3S,6R,17S)-17-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-3-cyclohexyl-2,5,8,11-tetraoxo-1,4,7,12-tetraazacycloheptadecan-6-yl]propanoic acid | - |
Hepacivirus C | |
| BILN 2061 | potent inhibitor | Hepacivirus C | |
| additional information | macrocyclic peptidic inhibitors, are less susceptible to hydrolytic degradation by proteases, have markedly improved oral absorption, and pharmacokinetic properties compared to corresponding acyclic analogs | Hepacivirus C | |
| tert-butyl (2S)-([N-[3-([[(3S,18S)-18-cyclohexyl-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinolin-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate | - |
Hepacivirus C | |
| tert-butyl (2S)-([N-[3-([[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate | - |
Hepacivirus C | |
| tert-butyl (2S)-([N-[3-([[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate | - |
Hepacivirus C | |
| tert-butyl (2S)-[([[3-([[(6S,8S,9R,10S,13S)-13-cyclohexyl-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-trien-10-yl]carbonyl]amino)-2-oxohexanoyl]amino]acetyl)amino](phenyl)ethanoate | - |
Hepacivirus C | |
| tert-butyl [(2R,6S,12Z,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(6-methoxyisoquinolin-1-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,11,13a,14,14a,15,16,16a-tetradecahydro-5H-cyclopropa[e]pyrrolo[2,1-i][1,7,10]oxadiazacyclopentadecin-6-yl]carbamate | - |
Hepacivirus C | |
| [(2R,5S,8S)-8-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-5-cyclohexyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecan-2-yl]acetic acid | - |
Hepacivirus C | |
| [(3S,6R,17S)-17-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-3-cyclohexyl-2,5,8,11-tetraoxo-1,4,7,12-tetraazacycloheptadecan-6-yl]acetic acid | - |
Hepacivirus C | |
Metals/Ions
| Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|
| Zn2+ | plays a critical role in maintaining structural stability and integrity of the protein | Hepacivirus C | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Hepacivirus C | - |
- |
- |
Subunits
| Subunits | Comment | Organism |
|---|---|---|
| heterodimer | - |
Hepacivirus C |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| NS3 protease | - |
Hepacivirus C |
| NS3-4A protease | - |
Hepacivirus C |
Cofactor
| Cofactor | Comment | Organism | Structure |
|---|---|---|---|
| additional information | NS-4A cofactor | Hepacivirus C |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.0000047 | - |
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[2-(1H-imidazol-1-yl)-7-methoxyquinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| 0.0000051 | - |
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(1H-pyrrol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| 0.0000055 | - |
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(1H-pyrazol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| 0.000006 | - |
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.0000064 | - |
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-([7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| 0.000007 | - |
(5S,8S,10R)-5-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide | - |
Hepacivirus C | |
| 0.000008 | - |
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.00001 | - |
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2-oxa-6-thia-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.00001 | - |
(2S)-([N-[3-([[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.000012 | - |
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| 0.000015 | - |
(7S,12S,21S)-12-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-21-carboxamide | - |
Hepacivirus C | |
| 0.000015 | - |
(2S)-([N-[3-([[(3S,18S)-18-cyclohexyl-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinolin-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.000017 | - |
(7R,9S,12S)-12-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.000019 | - |
(7R,9S,12S)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-12-(1-methylethyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.000021 | - |
(3S,18S)-18-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinoline-3-carboxamide | - |
Hepacivirus C | |
| 0.000022 | - |
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[7-methoxy-2-(4-methyl-1H-pyrazol-1-yl)quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| 0.000024 | - |
(2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxyquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | - |
Hepacivirus C | |
| 0.00003 | - |
(6R,8S,11S)-11-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-8-carboxamide | - |
Hepacivirus C | |
| 0.000036 | - |
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-6-(phenylsulfonyl)-2-oxa-6,10,13-triazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.000037 | - |
(6S,11S,20S)-11-tert-butyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-20-carboxamide | - |
Hepacivirus C | |
| 0.000038 | - |
tert-butyl (2S)-[([[3-([[(6S,8S,9R,10S,13S)-13-cyclohexyl-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-trien-10-yl]carbonyl]amino)-2-oxohexanoyl]amino]acetyl)amino](phenyl)ethanoate | - |
Hepacivirus C | |
| 0.000038 | - |
(2S)-[([[3-([[(6S,8S,9R,10S,13S)-13-cyclohexyl-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-trien-10-yl]carbonyl]amino)-2-oxohexanoyl]amino]acetyl)amino](phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.00004 | - |
(7R,9S,12S)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-12-(2-methylpropyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.000044 | - |
tert-butyl (2S)-([N-[3-([[(7R,9S,12S)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-trien-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate | - |
Hepacivirus C | |
| 0.000044 | - |
(6S,8S,9R,10S,13S)-13-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-12,15-dioxo-2,7,23-trioxa-11,14-diazatetracyclo[15.3.1.16,9.18,11]tricosa-1(21),17,19-triene-10-carboxamide | - |
Hepacivirus C | |
| 0.00006 | - |
(7R,9S,12S)-12-cyclohexyl-N-(1-[[(2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.00007 | - |
(7R,9S)-12-(2,3-dihydro-1H-inden-1-yl)-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,5-dimethyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.00011 | - |
(3S,6S)-6-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-3-carboxamide | - |
Hepacivirus C | |
| 0.00011 | - |
(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.00016 | - |
(2S)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[17.2.2.13,7]tetracosa-1(21),3(24),4,6,19,22-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.00016 | - |
(11R,14R)-N-(1-[[(2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-cyclohexyl-9,12-dioxo-2-oxa-10,13-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-14-carboxamide | - |
Hepacivirus C | |
| 0.00017 | - |
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide | - |
Hepacivirus C | |
| 0.00025 | - |
(2S)-([N-[3-([[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.00026 | - |
tert-butyl (2S)-([N-[3-([[(3S,18S)-18-cyclohexyl-16,19-dioxo-3,4-dihydro-1H-7,2-(epoxyheptanoiminoethano)isoquinolin-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate | - |
Hepacivirus C | |
| 0.0003 | - |
(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2-oxa-10,13-diazatricyclo[16.2.2.13,7]tricosa-1(20),3(23),4,6,18,21-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.00031 | - |
(7R,9S,12S)-N-(1-[[(2-[[(S)-cyano(phenyl)methyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-12-cyclohexyl-11,14-dioxo-2,6-dioxa-10,13-diazatricyclo[14.3.1.17,10]henicosa-1(20),16,18-triene-9-carboxamide | - |
Hepacivirus C | |
| 0.00031 | - |
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide | - |
Hepacivirus C | |
| 0.00032 | - |
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-8,11-dioxo-2,7-dioxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide | - |
Hepacivirus C | |
| 0.00039 | - |
(10S,13S)-10-cyclohexyl-N-(1-[[(2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-oxo-2,7-dioxa-8-thia-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide 8,8-dioxide | - |
Hepacivirus C | |
| 0.00042 | - |
(2S)-([N-[3-([[(10S,13S)-10-cyclohexyl-8,11-dioxo-2,7-dioxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-13-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.00044 | - |
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,18-trioxo-1,4,10-triazacyclooctadecane-5-carboxamide | - |
Hepacivirus C | |
| 0.00045 | - |
(5S,8S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5-cyclohexyl-3,6,14-trioxo-4,7,13-triazabicyclo[14.3.1]icosa-1(20),16,18-triene-8-carboxamide | - |
Hepacivirus C | |
| 0.00051 | - |
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,17-trioxo-1,4,10-triazacycloheptadecane-5-carboxamide | - |
Hepacivirus C | |
| 0.00066 | - |
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,16-trioxo-1,4,10-triazacyclohexadecane-5-carboxamide | - |
Hepacivirus C | |
| 0.00068 | - |
(5S,8S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-5-cyclohexyl-3,6,14-trioxo-4,7,13-triazabicyclo[14.2.2]icosa-1(18),16,19-triene-8-carboxamide | - |
Hepacivirus C | |
| 0.0011 | - |
(11S,14S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-11-cyclohexyl-9,12-dioxo-1,10,13,17-tetraazabicyclo[14.2.1]nonadeca-16(19),17-diene-14-carboxamide | - |
Hepacivirus C | |
| 0.0012 | - |
(10R,13R)-N-(1-[[(2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-10-cyclohexyl-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxamide | - |
Hepacivirus C | |
| 0.0023 | - |
tert-butyl (2S)-([N-[3-([[(3S,6S)-6-cyclohexyl-5,8-dioxo-4,7-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-3-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoate | - |
Hepacivirus C | |
| 0.0023 | - |
(2R)-([N-[3-([[(9S,12S)-12-cyclohexyl-11,14-dioxo-2,10-dioxa-13-azatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaen-9-yl]carbonyl]amino)-2-oxohexanoyl]glycyl]amino)(phenyl)ethanoic acid | - |
Hepacivirus C | |
| 0.0034 | - |
3-[(2R,5S,8S)-8-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-5-cyclohexyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecan-2-yl]propanoic acid | - |
Hepacivirus C | |
| 0.0035 | - |
(2S,5S)-N-(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)-2-cyclohexyl-3,11,15-trioxo-1,4,10-triazacyclopentadecane-5-carboxamide | - |
Hepacivirus C | |
| 0.0039 | - |
[(2R,5S,8S)-8-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-5-cyclohexyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecan-2-yl]acetic acid | - |
Hepacivirus C | |
| 0.0043 | - |
3-[(3S,6R,17S)-17-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-3-cyclohexyl-2,5,8,11-tetraoxo-1,4,7,12-tetraazacycloheptadecan-6-yl]propanoic acid | - |
Hepacivirus C | |
| 0.005 | - |
[(3S,6R,17S)-17-[(1-[[(2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl)amino](oxo)acetyl]butyl)carbamoyl]-3-cyclohexyl-2,5,8,11-tetraoxo-1,4,7,12-tetraazacycloheptadecan-6-yl]acetic acid | - |
Hepacivirus C | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.0000003 | - |
- |
Hepacivirus C | BILN 2061 | |
| 0.000011 | - |
- |
Hepacivirus C | (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | |
| 0.000028 | - |
- |
Hepacivirus C | (2R,6S,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | |
| 0.00005 | - |
- |
Hepacivirus C | tert-butyl [(2R,6S,12Z,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(6-methoxyisoquinolin-1-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,11,13a,14,14a,15,16,16a-tetradecahydro-5H-cyclopropa[e]pyrrolo[2,1-i][1,7,10]oxadiazacyclopentadecin-6-yl]carbamate | |
| 0.000077 | - |
- |
Hepacivirus C | (2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | |
| 0.0001 | - |
- |
Hepacivirus C | (2R,6S,12Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[[(4-fluoro-1,3-dihydro-2H-isoindol-2-yl)carbonyl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | |
| 0.0001 | - |
- |
Hepacivirus C | (2R,6S,12Z,14aR,16aS)-6-[[(cyclopentyloxy)carbonyl]amino]-2-[(5-ethoxythieno[3,2-b]pyridin-7-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | |
| 0.0001 | - |
- |
Hepacivirus C | (2R,6S,12Z,14aR,16aS)-2-[(8-chloro-2-ethoxyquinolin-4-yl)oxy]-6-[[(cyclopentyloxy)carbonyl]amino]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | |
| 0.00024 | - |
- |
Hepacivirus C | (2R,6S,10Z,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-2-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-5,16-dioxo-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | |
| 0.0004 | - |
- |
Hepacivirus C | (1R)-1-([(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]heptanoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolyl]amino)-2-ethenylcyclopropanecarboxylic acid | |
| 0.004 | - |
- |
Hepacivirus C | (2R,6S,10E,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-5,16-dioxo-2-(quinolin-4-yloxy)-1,2,3,6,7,8,9,12,13,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | |
| 0.0075 | - |
- |
Hepacivirus C | (3S,12S,16R,17aS)-12-[(tert-butoxycarbonyl)amino]-16-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-1,13-dioxohexadecahydro-1H-pyrrolo[1,2-a][1,4]diazacyclopentadecine-3-carboxylic acid | |
| 0.053 | - |
- |
Hepacivirus C | (3R,12S,16R,17aS)-12-[(tert-butoxycarbonyl)amino]-16-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-1,13-dioxohexadecahydro-1H-pyrrolo[1,2-a][1,4]diazacyclopentadecine-3-carboxylic acid | |
| 0.13 | - |
- |
Hepacivirus C | (1R)-2-but-3-en-1-yl-1-[[(4R)-1-[(2S)-2-[(tert-butoxycarbonyl)amino]hept-6-enoyl]-4-(quinolin-4-yloxy)-L-prolyl]amino]cyclopropanecarboxylic acid | |
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Release 2023.1 (January 2023)
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