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Literature summary extracted from

  • Liang, P.
    Characterization and inhibition of SARS-coronavirus main protease (2006), Curr. Top. Med. Chem., 6, 361-376.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.4.22.69 1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 1-hydroxypyridine-2-thione zinc
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothien-2-yl)-2-oxoethyl]furan-2(5H)-one
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]furan-2(5H)-one
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 5-chloropyridin-3-yl thiophene-2-carboxylate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 ethyl (2E)-4-[(N-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-L-phenylalanyl)amino]-5-phenylpent-2-enoate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 Hexachlorophene
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 Hg2+
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 N-ethyl-N-phenyldithiocarbamic acid zinc
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 phenylmercuric acetate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 Phenylmercuric nitrate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 thimerosal
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 toluene-3,4-dithiolato zinc
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 Zn2+
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 [3-([[3-(dihydroxyboranyl)benzyl]oxy]carbonyl)-5-nitrophenyl]boronic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 [benzene-1,2-diylbis[methanediylcarbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 [benzene-1,2-diylbis[methanediyloxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 [benzene-1,3-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 [benzene-1,4-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
 Severe acute respiratory syndrome-related coronavirus

Organism

EC Number Organism UniProt Comment Textmining
3.4.22.69 Severe acute respiratory syndrome-related coronavirus
-
-
-

Subunits

EC Number Subunits Comment Organism
3.4.22.69 dimer the enzyme exists as a mixture of monomer and dimer at a higher protein concentration (4 mg/ml) and exclusively as a monomer at a lower protein concentration Severe acute respiratory syndrome-related coronavirus
3.4.22.69 monomer the enzyme exists as a mixture of monomer and dimer at a higher protein concentration (4 mg/ml) and exclusively as a monomer at a lower protein concentration Severe acute respiratory syndrome-related coronavirus

Synonyms

EC Number Synonyms Comment Organism
3.4.22.69 3C-like protease
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 3cLpro
-
 Severe acute respiratory syndrome-related coronavirus

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
3.4.22.69 0.00003
-
 N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.00004
-
 [benzene-1,2-diylbis[methanediylcarbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.00017
-
 1-hydroxypyridine-2-thione zinc
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0003
-
 Phenylmercuric nitrate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0005
-
 Hg2+
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0005
-
 ethyl (2E)-4-[(N-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-L-phenylalanyl)amino]-5-phenylpent-2-enoate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0006
-
 benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0007
-
 phenylmercuric acetate
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.001
-
 N-ethyl-N-phenyldithiocarbamic acid zinc
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0011
-
 Zn2+
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0014
-
 toluene-3,4-dithiolato zinc
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0024
-
 thimerosal
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0045
-
 [benzene-1,4-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.006
-
 [benzene-1,2-diylbis[methanediyloxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.006
-
 [benzene-1,3-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.0137
-
 Hexachlorophene
-
 Severe acute respiratory syndrome-related coronavirus
3.4.22.69 0.016
-
 [3-([[3-(dihydroxyboranyl)benzyl]oxy]carbonyl)-5-nitrophenyl]boronic acid
-
 Severe acute respiratory syndrome-related coronavirus

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.4.22.69 0.0005
-
-
 Severe acute respiratory syndrome-related coronavirus 5-chloropyridin-3-yl thiophene-2-carboxylate
3.4.22.69 0.00095
-
-
 Severe acute respiratory syndrome-related coronavirus 1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione
3.4.22.69 0.0025
-
-
 Severe acute respiratory syndrome-related coronavirus 3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]furan-2(5H)-one
3.4.22.69 0.0026
-
-
 Severe acute respiratory syndrome-related coronavirus bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine
3.4.22.69 0.0043
-
-
 Severe acute respiratory syndrome-related coronavirus 2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid
3.4.22.69 0.007
-
-
 Severe acute respiratory syndrome-related coronavirus 3,4-dichloro-5-[2-(5-chloro-3-methyl-1-benzothien-2-yl)-2-oxoethyl]furan-2(5H)-one
3.4.22.69 0.007
-
-
 Severe acute respiratory syndrome-related coronavirus methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate