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Literature summary for 3.4.21.98 extracted from

  • Poliakov, A.; Sandstroem, A.; Akerblom, E.; Danielson, U.H.
    Mechanistic studies of electrophilic protease inhibitors of full length hepatic C virus (HCV) NS3 (2007), J. Enzyme Inhib. Med. Chem., 22, 191-199.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
1-aminocyclopropane-1-carboxylic acid ketoacid electrophilic and acidic compound Hepacivirus C
1-aminocyclopropane-1-carboxylic acid ketotetrazole electrophilic and acidic compound Hepacivirus C
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone electrophilic and non-acidic compound Hepacivirus C
1-aminocyclopropanecarboxylic acid non-electrophilic and acidic compound Hepacivirus C
L-aminobutyric acid carboxylic acid non-electrophilic and acidic compound Hepacivirus C
L-aminobutyric acid pentafluoroethyl ketone electrophilic and non-acidic compound Hepacivirus C
L-norvaline carboxylic acid non-electrophilic and acidic compound Hepacivirus C
L-norvaline ketotetrazole electrophilic and acidic compound Hepacivirus C
L-norvaline pentafluoroethyl ketone electrophilic and non-acidic compound Hepacivirus C
additional information electrophilic compounds with a pentafluoroethyl ketone group show stronger inhibition at pH 8 than pH 6, the difference is only significant at high ionic strength. Electrophilic compounds with an acidic C-terminal group or a cyclic P1 residue show a lower inhibitory effect at pH 8 than at pH 6, inconsistent with a mechanism-based inhibition. All electrophilic compounds have a strong inhibition at pH 6, when mechanism-based inhibition is unlikely Hepacivirus C

Organism

Organism UniProt Comment Textmining
Hepacivirus C
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Ac-DED-(EDANS)-EEAbupsi[COO]ASK(Dabcyl)-NH2 + H2O
-
Hepacivirus C ?
-
?

Synonyms

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

Cofactor

Cofactor Comment Organism Structure
KKGSVVIVGRIVLSGK
-
Hepacivirus C

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000062
-
1-aminocyclopropanecarboxylic acid at pH 6.0 Hepacivirus C
0.000016
-
L-norvaline carboxylic acid at pH 6.0 Hepacivirus C
0.000025
-
1-aminocyclopropanecarboxylic acid at pH 6.0 and 100 mM NaCl Hepacivirus C
0.000031
-
L-norvaline carboxylic acid at pH 6.0 and 100 mM NaCl Hepacivirus C
0.000051
-
L-aminobutyric acid pentafluoroethyl ketone at pH 8.0 and 100 mM NaCl Hepacivirus C
0.000052
-
1-aminocyclopropane-1-carboxylic acid ketoacid at pH 6.0 Hepacivirus C
0.000084
-
L-aminobutyric acid pentafluoroethyl ketone at pH 6.0 Hepacivirus C
0.000098
-
L-aminobutyric acid carboxylic acid at pH 6.0 Hepacivirus C
0.000117
-
L-norvaline pentafluoroethyl ketone at pH 8.0 and 100 mM NaCl Hepacivirus C
0.000134
-
L-norvaline ketotetrazole at pH 6.0 Hepacivirus C
0.000145
-
L-norvaline pentafluoroethyl ketone at pH 8.0 Hepacivirus C
0.00015
-
L-norvaline pentafluoroethyl ketone at pH 6.0 Hepacivirus C
0.00015
-
L-aminobutyric acid pentafluoroethyl ketone at pH 6.0 and 100 mM NaCl Hepacivirus C
0.00019
-
1-aminocyclopropane-1-carboxylic acid ketoacid at pH 6.0 and 100 mM NaCl Hepacivirus C
0.0002
-
1-aminocyclopropanecarboxylic acid at pH 8.0 and 100 mM NaCl Hepacivirus C
0.000245
-
L-norvaline carboxylic acid at pH 8.0 and 100 mM NaCl Hepacivirus C
0.00025
-
L-aminobutyric acid carboxylic acid at pH 6.0 and 100 mM NaCl Hepacivirus C
0.00032
-
1-aminocyclopropanecarboxylic acid at pH 8.0 Hepacivirus C
0.00035
-
L-norvaline pentafluoroethyl ketone at pH 6.0 and 100 mM NaCl Hepacivirus C
0.00037
-
1-aminocyclopropane-1-carboxylic acid ketotetrazole at pH 6.0 Hepacivirus C
0.00045
-
L-norvaline carboxylic acid at pH 8.0 Hepacivirus C
0.00046
-
L-norvaline ketotetrazole at pH 6.0 and 100 mM NaCl Hepacivirus C
0.00082
-
L-aminobutyric acid pentafluoroethyl ketone at pH 8.0 Hepacivirus C
0.00107
-
1-aminocyclopropane-1-carboxylic acid ketotetrazole at pH 6.0 and 100 mM NaCl Hepacivirus C
0.00125
-
L-aminobutyric acid carboxylic acid at pH 8.0 and 100 mM NaCl Hepacivirus C
0.00149
-
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone at pH 6.0 Hepacivirus C
0.00168
-
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone at pH 8.0 and 100 mM NaCl Hepacivirus C
0.00174
-
L-norvaline ketotetrazole at pH 8.0 Hepacivirus C
0.00182
-
1-aminocyclopropane-1-carboxylic acid ketoacid at pH 8.0 and 100 mM NaCl Hepacivirus C
0.00188
-
L-norvaline ketotetrazole at pH 8.0 and 100 mM NaCl Hepacivirus C
0.00227
-
1-aminocyclopropane-1-carboxylic acid ketotetrazole at pH 8.0 and 100 mM NaCl Hepacivirus C
0.00275
-
L-aminobutyric acid carboxylic acid at pH 8.0 Hepacivirus C
0.0032
-
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone at pH 6.0 and 100 mM NaCl Hepacivirus C
0.00377
-
1-aminocyclopropane-1-carboxylic acid ketoacid at pH 8.0 Hepacivirus C
0.0041
-
1-aminocyclopropane-1-carboxylic acid pentafluoroethyl ketone at pH 8.0 Hepacivirus C
0.00562
-
1-aminocyclopropane-1-carboxylic acid ketotetrazole at pH 8.0 Hepacivirus C