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Literature summary for 3.4.22.69 extracted from

  • Lu, I.; Mahindroo, N.; Liang, P.; Peng, Y.; Kuo, C.; Tsai, K.; Hsieh, H.; Chao, Y.; Wu, S.
    Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease (2006), J. Med. Chem., 49, 5154-5161.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
-
Severe acute respiratory syndrome-related coronavirus

Inhibitors

Inhibitors Comment Organism Structure
1,1'-sulfonylbis(4-nitrobenzene)
-
Severe acute respiratory syndrome-related coronavirus
1-[(4-chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
-
Severe acute respiratory syndrome-related coronavirus
2',5'-dimethyl-3-(methylthio)-4'-nitro-5-(2-thienyl)-2'H-1,3'-bipyrazole-4-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone
-
Severe acute respiratory syndrome-related coronavirus
2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone
-
Severe acute respiratory syndrome-related coronavirus
2-[(2-acetylphenyl)sulfonyl]benzoic acid
-
Severe acute respiratory syndrome-related coronavirus
2-[(4-chlorophenyl)sulfonyl]-5-nitropyridine 1-oxide
-
Severe acute respiratory syndrome-related coronavirus
3-[(2-furylmethyl)amino]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
-
Severe acute respiratory syndrome-related coronavirus
4,6-dimethyl-2-[(4-methylphenyl)sulfonyl]-5-nitronicotinonitrile
-
Severe acute respiratory syndrome-related coronavirus
4,6-dimethyl-5-nitro-2-(phenylsulfonyl)nicotinonitrile
-
Severe acute respiratory syndrome-related coronavirus
4-(5-chloro-2-thienyl)-2-[(2-thienylsulfonyl)methyl]-1,3-thiazole
-
Severe acute respiratory syndrome-related coronavirus
4-[(3,5-dibromo-4-hydroxyphenyl)sulfonyl]benzoic acid
-
Severe acute respiratory syndrome-related coronavirus
5-(1,3-dimethyl-1H-pyrazol-5-yl)-N-(3-methyl-4-nitroisoxazol-5-yl)thiophene-2-carboxamide
-
Severe acute respiratory syndrome-related coronavirus
5-[(4-chlorophenyl)sulfonyl]pyrimidine-2,4-diamine
-
Severe acute respiratory syndrome-related coronavirus
diethyl (2E,2'E)-3,3'-[sulfonylbis(benzene-4,1-diylimino)]bis(2-cyanoprop-2-enoate)
-
Severe acute respiratory syndrome-related coronavirus
N-(2,2'-bithien-5-ylmethyl)-1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
-
Severe acute respiratory syndrome-related coronavirus
N-[3-(5-tert-butyl-2-methyl-3-furyl)-1H-pyrazol-5-yl]thiophene-2-sulfonamide
-
Severe acute respiratory syndrome-related coronavirus
N-[4-[(4-chlorophenyl)sulfonyl]-3-(methylthio)-1H-pyrazol-5-yl]thiophene-2-carboxamide
-
Severe acute respiratory syndrome-related coronavirus
S-[5-(trichloromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
-
Severe acute respiratory syndrome-related coronavirus
sulfonyldi-4,1-phenylene bis(2,3,3-trichloroacrylate)
-
Severe acute respiratory syndrome-related coronavirus
tetraethyl 2,2'-[sulfonylbis(benzene-4,1-diyliminomethylylidene)]dipropanedioate
-
Severe acute respiratory syndrome-related coronavirus

Organism

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

Purification (Commentary)

Purification (Comment) Organism
-
Severe acute respiratory syndrome-related coronavirus

Synonyms

Synonyms Comment Organism
SARS-CoV main protease
-
Severe acute respiratory syndrome-related coronavirus
SARS-CoV Mpro
-
Severe acute respiratory syndrome-related coronavirus
severe acute respiratory syndrome coronavirus main protease
-
Severe acute respiratory syndrome-related coronavirus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0003
-
-
Severe acute respiratory syndrome-related coronavirus 2,4-dichloro-5-methylphenyl 2,6-dinitro-4-(trifluoromethyl)phenyl sulfone
0.0009
-
-
Severe acute respiratory syndrome-related coronavirus sulfonyldi-4,1-phenylene bis(2,3,3-trichloroacrylate)
0.003
-
-
Severe acute respiratory syndrome-related coronavirus S-[5-(trichloromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
0.005
-
-
Severe acute respiratory syndrome-related coronavirus 5-(1,3-dimethyl-1H-pyrazol-5-yl)-N-(3-methyl-4-nitroisoxazol-5-yl)thiophene-2-carboxamide
0.006
-
-
Severe acute respiratory syndrome-related coronavirus 5-[(4-chlorophenyl)sulfonyl]pyrimidine-2,4-diamine
0.01
-
-
Severe acute respiratory syndrome-related coronavirus N-[3-(5-tert-butyl-2-methyl-3-furyl)-1H-pyrazol-5-yl]thiophene-2-sulfonamide
0.012
-
-
Severe acute respiratory syndrome-related coronavirus 1-[(4-chlorophenyl)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene
0.013
-
-
Severe acute respiratory syndrome-related coronavirus 4,6-dimethyl-2-[(4-methylphenyl)sulfonyl]-5-nitronicotinonitrile
0.013
-
-
Severe acute respiratory syndrome-related coronavirus 4,6-dimethyl-5-nitro-2-(phenylsulfonyl)nicotinonitrile
0.015
-
-
Severe acute respiratory syndrome-related coronavirus 2-[(4-chlorophenyl)sulfonyl]-5-nitropyridine 1-oxide
0.015
-
-
Severe acute respiratory syndrome-related coronavirus N-[4-[(4-chlorophenyl)sulfonyl]-3-(methylthio)-1H-pyrazol-5-yl]thiophene-2-carboxamide
0.016
-
-
Severe acute respiratory syndrome-related coronavirus 2-[(2-acetylphenyl)sulfonyl]benzoic acid
0.016
-
-
Severe acute respiratory syndrome-related coronavirus 3-[(2-furylmethyl)amino]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbonitrile
0.016
-
-
Severe acute respiratory syndrome-related coronavirus 4-[(3,5-dibromo-4-hydroxyphenyl)sulfonyl]benzoic acid
0.016
-
-
Severe acute respiratory syndrome-related coronavirus diethyl (2E,2'E)-3,3'-[sulfonylbis(benzene-4,1-diylimino)]bis(2-cyanoprop-2-enoate)
0.018
-
-
Severe acute respiratory syndrome-related coronavirus 2',5'-dimethyl-3-(methylthio)-4'-nitro-5-(2-thienyl)-2'H-1,3'-bipyrazole-4-carbonitrile
0.018
-
-
Severe acute respiratory syndrome-related coronavirus 4-(5-chloro-2-thienyl)-2-[(2-thienylsulfonyl)methyl]-1,3-thiazole
0.02
-
-
Severe acute respiratory syndrome-related coronavirus N-(2,2'-bithien-5-ylmethyl)-1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
0.025
-
-
Severe acute respiratory syndrome-related coronavirus 1,1'-sulfonylbis(4-nitrobenzene)
0.032
-
-
Severe acute respiratory syndrome-related coronavirus tetraethyl 2,2'-[sulfonylbis(benzene-4,1-diyliminomethylylidene)]dipropanedioate
0.04
-
-
Severe acute respiratory syndrome-related coronavirus 2-(4,5-dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethanone