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Literature summary for 3.4.22.69 extracted from

  • Nguyen, T.T.; Ryu, H.J.; Lee, S.H.; Hwang, S.; Breton, V.; Rhee, J.H.; Kim, D.
    Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation (2011), Bioorg. Med. Chem. Lett., 21, 3088-3091.
    View publication on PubMed
Search for more literature for 3.4.22.69

Inhibitors

Inhibitors Comment Organism Structure
1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-1,5-dihydro-2H-pyrrol-2-one competitive inhibitor, 61.36% inhibition at 0.1 mM Severe acute respiratory syndrome-related coronavirus
4-([[4-cyclohexyl-5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)-1,3-thiazol-2-amine competitive inhibitor, 58.23% inhibition at 0.1 mM Severe acute respiratory syndrome-related coronavirus
4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one competitive inhibitor, 49.14% inhibition at 0.1 mM Severe acute respiratory syndrome-related coronavirus
N-(furan-2-ylmethyl)-2-[[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl]acetamide competitive inhibitor, 53.27% inhibition at 0.1 mM Severe acute respiratory syndrome-related coronavirus
N-[(1E)-3-[(2E)-2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide competitive inhibitor, 56.11% inhibition at 0.1 mM Severe acute respiratory syndrome-related coronavirus
N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide competitive inhibitor, 81.43% inhibition at 0.1 mM Severe acute respiratory syndrome-related coronavirus
N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide competitive inhibitor, 82.59% inhibition at 0.1 mM 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.
Dabcyl-KTSAVLQSGFRKME-EDANS + H2O
-
 Severe acute respiratory syndrome-related coronavirus Dabcyl-KTSAVLQ + SGFRKME-EDANS
-
 ?

Synonyms

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

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.03857
-
 pH and temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
0.04139
-
 pH and temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus N-[(1Z)-3-[[3-(dimethylamino)propyl]amino]-1-[5-(2-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
0.05835
-
 pH and temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus 4-([[4-cyclohexyl-5-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl]methyl)-1,3-thiazol-2-amine
0.06279
-
 pH and temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[2-methyl-4-(2-methylpropoxy)benzoyl]-1,5-dihydro-2H-pyrrol-2-one
0.07709
-
 pH and temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus N-[(1E)-3-[(2E)-2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
0.09072
-
 pH and temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus N-(furan-2-ylmethyl)-2-[[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl]acetamide
0.1014
-
 pH and temperature not specified in the publication Severe acute respiratory syndrome-related coronavirus 4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one