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Literature summary for 3.4.21.98 extracted from

  • Wyss, D.F.; Arasappan, A.; Senior, M.M.; Wang, Y.S.; Beyer, B.M.; Njoroge, F.G.; McCoy, M.A.
    Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening (2004), J. Med. Chem., 47, 2486-2498.
    View publication on PubMed
Search for more literature for 3.4.21.98

Inhibitors

Inhibitors Comment Organism Structure
(2R)-2-(acetylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
 Hepacivirus C
(2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
 Hepacivirus C
(2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
 Hepacivirus C
(4-acetylphenoxy)acetic acid
-
 Hepacivirus C
(4-aminophenyl)(2-aminopyridin-3-yl)methanone
-
 Hepacivirus C
(4-aminophenyl)(phenyl)methanone
-
 Hepacivirus C
(4-methoxyphenyl)(1H-pyrrol-2-yl)methanone
-
 Hepacivirus C
1-(4-aminophenyl)-2-phenylethane-1,2-dione
-
 Hepacivirus C
1-benzofuran-2-carboxylic acid
-
 Hepacivirus C
1-benzothiophene-2-carboxylic acid
-
 Hepacivirus C
1-methyl-1H-indole-2-carboxylic acid
-
 Hepacivirus C
1H-indole-2-carboxylic acid
-
 Hepacivirus C
2-(3-chlorobenzoyl)benzoic acid
-
 Hepacivirus C
2-(4-carboxybenzoyl)benzoic acid
-
 Hepacivirus C
2-(4-chlorobenzoyl)-6-(methoxycarbonyl)benzoic acid
-
 Hepacivirus C
2-(4-chlorobenzoyl)-6-[(dimethylamino)carbonyl]benzoic acid
-
 Hepacivirus C
2-(4-chlorobenzoyl)benzoic acid
-
 Hepacivirus C
2-(4-chlorobenzyl)benzoic acid
-
 Hepacivirus C
2-(4-chlorophenoxy)benzoic acid
-
 Hepacivirus C
2-(4-fluorobenzoyl)benzoic acid
-
 Hepacivirus C
2-(4-fluorophenoxy)benzoic acid
-
 Hepacivirus C
2-(4-hydroxybenzoyl)-4-methylbenzoic acid
-
 Hepacivirus C
2-(4-hydroxybenzoyl)benzoic acid
-
 Hepacivirus C
2-(4-hydroxybenzyl)benzoic acid
-
 Hepacivirus C
2-(4-methoxybenzoyl)benzoic acid
-
 Hepacivirus C
2-(4-methylbenzoyl)benzoic acid
-
 Hepacivirus C
2-(4-[3-[1-Carboxy-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy]-benzoyl)-benzoic acid competitive Hepacivirus C
2-(4-[3-[1-tert-Butoxycarbonyl-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy]-benzoyl)-benzoic acid tert-butyl ester competitive Hepacivirus C
2-(carboxymethyl)-6-(4-chlorobenzoyl)benzoic acid
-
 Hepacivirus C
2-chloro-6-(4-chloro-benzoyl)-benzoic acid
-
 Hepacivirus C
2-[4-(3-carboxypropyl)benzoyl]benzoic acid
-
 Hepacivirus C
2-[4-(trifluoromethyl)benzoyl]benzoic acid
-
 Hepacivirus C
3-(4-acetylphenoxy)propanoic acid
-
 Hepacivirus C
3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid
-
 Hepacivirus C
3-(4-hydroxy-3,5-diiodophenyl)-3-phenylpropanoic acid
-
 Hepacivirus C
3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
-
 Hepacivirus C
4-(4-hydroxy-3,5-diiodophenyl)butanoic acid
-
 Hepacivirus C
4-(trifluoroacetyl)benzoic acid
-
 Hepacivirus C
4-chloro-1H-indole-2-carboxylic acid
-
 Hepacivirus C
4-hydroxy-2-(4-hydroxybenzoyl)benzoic acid
-
 Hepacivirus C
4-hydroxy-3,5-diiodobenzoic acid
-
 Hepacivirus C
4-methoxy-2-(4-methoxybenzoyl)benzoic acid
-
 Hepacivirus C
5-bromo-1H-indole-2-carboxylic acid
-
 Hepacivirus C
5-bromo-2-(4-hydroxybenzoyl)benzoic acid
-
 Hepacivirus C
5-chloro-1-benzofuran-2-carboxylic acid
-
 Hepacivirus C
5-chloro-1H-indole-2-carboxylic acid
-
 Hepacivirus C
5-fluoro-1H-indole-2-carboxylic acid
-
 Hepacivirus C
5-methoxy-1-benzothiophene-2-carboxylic acid
-
 Hepacivirus C
5-methoxy-1H-indole-2-carboxylic acid
-
 Hepacivirus C
5-methyl-1H-indole-2-carboxylic acid
-
 Hepacivirus C
6-chloro-1H-indole-2-carboxylic acid
-
 Hepacivirus C
7-bromo-1H-indole-2-carboxylic acid
-
 Hepacivirus C
7-chloro-1H-indole-2-carboxylic acid
-
 Hepacivirus C
bis(4-aminophenyl)methanone
-
 Hepacivirus C
cyclopropyl(4-methoxyphenyl)methanone
-
 Hepacivirus C

Organism

Organism UniProt Comment Textmining
Hepacivirus C P26663
-
-

Synonyms

Synonyms Comment Organism
NS3 protease
-
 Hepacivirus C

Cofactor

Cofactor Comment Organism Structure
additional information NS4 required Hepacivirus C

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0008
-
 2-(4-[3-[1-Carboxy-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy]-benzoyl)-benzoic acid pH 6.5, 30°C Hepacivirus C
0.001
-
 2-(4-[3-[1-tert-Butoxycarbonyl-2-(4-hydroxy-3,5-diiodo-phenyl)-ethylcarbamoyloxy]-propoxy]-benzoyl)-benzoic acid tert-butyl ester pH 6.5, 30°C Hepacivirus C
0.08
-
 3-(4-hydroxy-3,5-diiodophenyl)propanoic acid pH 6.5, 30°C Hepacivirus C
0.1
-
 3-(4-hydroxy-3,5-diiodophenyl)-3-phenylpropanoic acid pH 6.5, 30°C Hepacivirus C
0.14
-
 3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid pH 6.5, 30°C Hepacivirus C
0.18
-
 4-(4-hydroxy-3,5-diiodophenyl)butanoic acid pH 6.5, 30°C Hepacivirus C
0.21
-
 (2R)-2-(acetylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid pH 6.5, 30°C Hepacivirus C
0.26
-
 (2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid pH 6.5, 30°C Hepacivirus C
0.31
-
 (2S)-2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid pH 6.5, 30°C Hepacivirus C
0.6
-
 4-hydroxy-3,5-diiodobenzoic acid pH 6.5, 30°C Hepacivirus C