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Literature summary for 3.4.22.69 extracted from
- Characterization and inhibition of SARS-coronavirus main protease (2006), Curr. Top. Med. Chem., 6, 361-376.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione | - |
Severe acute respiratory syndrome-related coronavirus |  |
| 1-hydroxypyridine-2-thione zinc | - |
Severe acute respiratory syndrome-related coronavirus | |
| 2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid | - |
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 | - |
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 | - |
Severe acute respiratory syndrome-related coronavirus | |
| 5-chloropyridin-3-yl thiophene-2-carboxylate | - |
Severe acute respiratory syndrome-related coronavirus | |
| 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 | |
| bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine | - |
Severe acute respiratory syndrome-related coronavirus | |
| 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 | |
| Hexachlorophene | - |
Severe acute respiratory syndrome-related coronavirus | |
| Hg2+ | - |
Severe acute respiratory syndrome-related coronavirus | |
| methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate | - |
Severe acute respiratory syndrome-related coronavirus | |
| N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide | - |
Severe acute respiratory syndrome-related coronavirus | |
| N-ethyl-N-phenyldithiocarbamic acid zinc | - |
Severe acute respiratory syndrome-related coronavirus | |
| phenylmercuric acetate | - |
Severe acute respiratory syndrome-related coronavirus | |
| Phenylmercuric nitrate | - |
Severe acute respiratory syndrome-related coronavirus | |
| thimerosal | - |
Severe acute respiratory syndrome-related coronavirus | |
| toluene-3,4-dithiolato zinc | - |
Severe acute respiratory syndrome-related coronavirus | |
| Zn2+ | - |
Severe acute respiratory syndrome-related coronavirus | |
| [3-([[3-(dihydroxyboranyl)benzyl]oxy]carbonyl)-5-nitrophenyl]boronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
| [benzene-1,2-diylbis[methanediylcarbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
| [benzene-1,2-diylbis[methanediyloxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
| [benzene-1,3-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
| [benzene-1,4-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Severe acute respiratory syndrome-related coronavirus | - |
- |
- |
Subunits
| Subunits | Comment | Organism |
|---|---|---|
| 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 |
| 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
| Synonyms | Comment | Organism |
|---|---|---|
| 3C-like protease | - |
Severe acute respiratory syndrome-related coronavirus |
| 3cLpro | - |
Severe acute respiratory syndrome-related coronavirus |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.00003 | - |
N-(2-chloro-4-nitrophenyl)-Nalpha-[[4-(dimethylamino)phenyl]carbonyl]phenylalaninamide | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.00004 | - |
[benzene-1,2-diylbis[methanediylcarbamoyl(5-nitrobenzene-3,1-diyl)]]diboronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.00017 | - |
1-hydroxypyridine-2-thione zinc | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.0003 | - |
Phenylmercuric nitrate | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.0005 | - |
Hg2+ | - |
Severe acute respiratory syndrome-related coronavirus | |
| 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 | |
| 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 | |
| 0.0007 | - |
phenylmercuric acetate | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.001 | - |
N-ethyl-N-phenyldithiocarbamic acid zinc | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.0011 | - |
Zn2+ | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.0014 | - |
toluene-3,4-dithiolato zinc | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.0024 | - |
thimerosal | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.0045 | - |
[benzene-1,4-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.006 | - |
[benzene-1,2-diylbis[methanediyloxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.006 | - |
[benzene-1,3-diylbis[oxycarbonyl(5-nitrobenzene-3,1-diyl)]]diboronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.0137 | - |
Hexachlorophene | - |
Severe acute respiratory syndrome-related coronavirus | |
| 0.016 | - |
[3-([[3-(dihydroxyboranyl)benzyl]oxy]carbonyl)-5-nitrophenyl]boronic acid | - |
Severe acute respiratory syndrome-related coronavirus | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.0005 | - |
- |
Severe acute respiratory syndrome-related coronavirus | 5-chloropyridin-3-yl thiophene-2-carboxylate | |
| 0.00095 | - |
- |
Severe acute respiratory syndrome-related coronavirus | 1-(1-benzothiophen-2-ylmethyl)-5-iodo-1H-indole-2,3-dione | |
| 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 | |
| 0.0026 | - |
- |
Severe acute respiratory syndrome-related coronavirus | bis[1,3]thiazolo[4,5-b:5',4'-e]pyridine-2,6-diamine | |
| 0.0043 | - |
- |
Severe acute respiratory syndrome-related coronavirus | 2-(4-aminophenyl)-6-methyl-1H-benzimidazole-7-sulfonic acid | |
| 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 | |
| 0.007 | - |
- |
Severe acute respiratory syndrome-related coronavirus | methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate | |
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