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Literature summary for 3.4.21.98 extracted from

  • Bogen, S.L.; Arasappan, A.; Velazquez, F.; Blackman, M.; Huelgas, R.; Pan, W.; Siegel, E.; Nair, L.G.; Venkatraman, S.; Guo, Z.; Doll, R.; Shih, N.Y.; Njoroge, F.G.
    Discovery of potent sulfonamide P4-capped ketoamide second generation inhibitors of hepatitis C virus NS3 serine protease with favorable pharmacokinetic profiles in preclinical species (2010), Bioorg. Med. Chem., 18, 1854-1865.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(1R,5S)-3-(N-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoyl]-3-methyl-L-valyl)-N-[1-(cyclopropylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
Hepacivirus C
(1R,5S)-3-[2(S)-[[[[1-[(1-azetidinylsulfonyl)methyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-3-[2(S)-[[[[1-[[[cyclobutyl(methyl)amino]sulfonyl]methyl]cyclohexyl]amino] carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyll]-butyl]-3-[2(S)-[[[[1-[[(dimethylamino)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[(2S)-2-[[[[1-[1(R)-[(dimethylamino)sulfonyl]ethyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyll-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[(2S)-[[[[1-[1(S)-[(dimethylamino)sulfonyl]ethyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyll-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-(2-cyclopropyl-1,1-dioxido-5(R)-isothiazolidinyl)cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[(2-fluoro-1,1-dimethylethyl)methylamino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[(cyclopropylmethyl)methylamino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[cyclopropyl(1-methylethyl)amino]-sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)amino]sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[ethyl(methyl)amino]sulfonyl]methyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[(4-morpholinylsulfonyl)-methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[[(methylamino)sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[[[methyl(1-me5thylethyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-pemtyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)amino]sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[3-(cyclopropylamino)-1(S)-(2-cyclopropylethyl)-2,3-dioxopropyl]-3-[2(S)-[[[[1-[[[cycloppropyl(methyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
-
Hepacivirus C
(1R,5S)-N-[3-(cyclopropylamino)-1(S)-(cyclopropylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide
-
Hepacivirus C
(1S,5R)-N-((S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl)-3-((S)-2-(3-(1-((N-cyclopropyl-N-methylsulfamoyl)methyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
-
Hepacivirus C
benzyl 1-([[(2S)-1-[(1R,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]amino)cyclohexanecarboxylate
-
Hepacivirus C

Organism

Organism UniProt Comment Textmining
Hepacivirus C
-
-
-

Synonyms

Synonyms Comment Organism
NS3 serine protease
-
Hepacivirus C

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000002
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[(2S)-2-[[[[1-[1(R)-[(dimethylamino)sulfonyl]ethyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyll-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.0000028
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[(2-fluoro-1,1-dimethylethyl)methylamino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000004
-
(1R,5S)-N-[3-(cyclopropylamino)-1(S)-(2-cyclopropylethyl)-2,3-dioxopropyl]-3-[2(S)-[[[[1-[[[cycloppropyl(methyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000004
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-(2-cyclopropyl-1,1-dioxido-5(R)-isothiazolidinyl)cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000004
-
(1R,5S)-3-(N-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoyl]-3-methyl-L-valyl)-N-[1-(cyclopropylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000006
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyll]-butyl]-3-[2(S)-[[[[1-[[(dimethylamino)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000006
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[cyclopropyl(1-methylethyl)amino]-sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000006
-
(1S,5R)-N-((S)-5-cyclopropyl-1-(cyclopropylamino)-1,2-dioxopentan-3-yl)-3-((S)-2-(3-(1-((N-cyclopropyl-N-methylsulfamoyl)methyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000007
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[[[methyl(1-me5thylethyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000007
-
(1R,5S)-3-[2(S)-[[[[1-[[[cyclobutyl(methyl)amino]sulfonyl]methyl]cyclohexyl]amino] carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000008
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)amino]sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000008
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[3,3-dimethyl-2(S)-[[[[1-[(4-morpholinylsulfonyl)-methyl]cyclohexyl]amino]carbonyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000009
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-butyl]-3-[2(S)-[[[[1-[[[ethyl(methyl)amino]sulfonyl]methyl]-cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000011
-
(1R,5S)-N-[1(S)-[2-(cyclopropylamino)-1,2-dioxoethyl]-pemtyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)amino]sulfonyl]-methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000014
-
(1R,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000015
-
(1R,5S)-N-[3-(cyclopropylamino)-1(S)-(cyclopropylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[[1-[[[cyclopropyl(methyl)-amino]sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]-hexane-2(S)-carboxamide pH and temperature not specified in the publication Hepacivirus C
0.000049
-
benzyl 1-([[(2S)-1-[(1R,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]amino)cyclohexanecarboxylate pH and temperature not specified in the publication Hepacivirus C