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Literature summary for 3.4.21.98 extracted from

  • Avolio, S.; Robertson, K.; Hernando, J.I.; DiMuzio, J.; Summa, V.
    Inhibitors of hepatitis C virus NS3/4A: alpha-ketoamide based macrocyclic inhibitors (2009), Bioorg. Med. Chem. Lett., 19, 2295-2298.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
-
Hepacivirus C
(1S,5R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-cyclopentyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo[(1-phenylethyl)amino]acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo[(pyridin-2-ylmethyl)amino]acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclobutylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopentylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-1,6,7,9,10,11,12,14,15,16,17,18-dodecahydro-5H-2,22:5,8-dimethano-4,13,2,8,11-benzodioxatriazacycloicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[[(1-methylpropyl)amino](oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
(5R,7S,10S)-N-[(1S)-1-[(benzylamino)(oxo)acetyl]butyl]-10-tert-butyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C

Organism

Organism UniProt Comment Textmining
Hepacivirus C
-
-
-

Synonyms

Synonyms Comment Organism
NS3 protease
-
Hepacivirus C
NS3 serine proteinase
-
Hepacivirus C

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000035
-
(1S,5R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-tert-butylureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
Hepacivirus C
0.000057
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
0.000066
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[[(1-methylpropyl)amino](oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
0.000071
-
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
0.000078
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopentylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
0.000085
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-1,6,7,9,10,11,12,14,15,16,17,18-dodecahydro-5H-2,22:5,8-dimethano-4,13,2,8,11-benzodioxatriazacycloicosine-7(3H)-carboxamide
-
Hepacivirus C
0.000095
-
(5R,7S,10S)-10-cyclopentyl-N-[(1S)-1-[(cyclopropylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
0.00011
-
(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
-
Hepacivirus C
0.00014
-
(5R,7S,10S)-10-tert-butyl-N-[(1S)-1-[(cyclobutylamino)(oxo)acetyl]butyl]-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
0.00014
-
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo[(1-phenylethyl)amino]acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
0.000176
-
(5R,7S,10S)-10-tert-butyl-3,9,12-trioxo-N-[(1S)-1-[oxo[(pyridin-2-ylmethyl)amino]acetyl]butyl]-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C
0.000242
-
(5R,7S,10S)-N-[(1S)-1-[(benzylamino)(oxo)acetyl]butyl]-10-tert-butyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
-
Hepacivirus C