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Literature summary for 3.4.22.69 extracted from

  • Wu, C.; King, K.; Kuo, C.; Fang, J.; Wu, Y.; Ho, M.; Liao, C.; Shie, J.; Liang, P.; Wong, C.
    Stable benzotriazole esters as mechanism-based inactivators of the severe acute respiratory syndrome 3CL protease (2006), Chem. Biol., 13, 261-268.
    View publication on PubMed

Protein Variants

Protein Variants Comment Organism
C145A no irreversible inactivation by benzotriazole esters Severe acute respiratory syndrome-related coronavirus

Inhibitors

Inhibitors Comment Organism Structure
1-[(1H-benzimidazol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme Severe acute respiratory syndrome-related coronavirus
1-[(1H-indol-2-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme Severe acute respiratory syndrome-related coronavirus
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme Severe acute respiratory syndrome-related coronavirus
1-[[(5-fluoro-1H-indol-2-yl)carbonyl]oxy]-1H-1,2,3-benzotriazole inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme Severe acute respiratory syndrome-related coronavirus
2-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]aniline inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme Severe acute respiratory syndrome-related coronavirus
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme Severe acute respiratory syndrome-related coronavirus
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-dimethylaniline inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme Severe acute respiratory syndrome-related coronavirus
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N-methylaniline inhibition and irreversible mechanism-based inactivators, no irreversible inactivation with the C145A mutant enzyme Severe acute respiratory syndrome-related coronavirus

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome-related coronavirus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
[4-(4-dimethylaminophenylazo)benzoic acid]-KTSAVLQSGFRKME-[5-[2'-(aminoethyl)amino]-naphthalenesulfonic acid] + H2O
-
Severe acute respiratory syndrome-related coronavirus ?
-
?

Synonyms

Synonyms Comment Organism
3cLpro
-
Severe acute respiratory syndrome-related coronavirus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000075
-
1-[(1H-indol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
Severe acute respiratory syndrome-related coronavirus
0.0000111
-
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-diethylaniline
-
Severe acute respiratory syndrome-related coronavirus
0.0000121
-
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N-methylaniline
-
Severe acute respiratory syndrome-related coronavirus
0.0000123
-
1-[(1H-indol-2-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
Severe acute respiratory syndrome-related coronavirus
0.0000138
-
1-[[(5-fluoro-1H-indol-2-yl)carbonyl]oxy]-1H-1,2,3-benzotriazole
-
Severe acute respiratory syndrome-related coronavirus
0.0000174
-
4-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]-N,N-dimethylaniline
-
Severe acute respiratory syndrome-related coronavirus
0.0000195
-
2-[(1H-1,2,3-benzotriazol-1-yloxy)carbonyl]aniline
-
Severe acute respiratory syndrome-related coronavirus
0.0000229
-
1-[(1H-benzimidazol-5-ylcarbonyl)oxy]-1H-1,2,3-benzotriazole
-
Severe acute respiratory syndrome-related coronavirus