Crystallization (Comment) | Organism |
---|---|
molecular docking study with inhibitor S-[2-[(2-ethylphenyl)amino]-2-oxoethyl] 2-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoyl]hydrazinecarbothioate using the structure of papain/CLIK-148, PDB entry 1cvz | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
S-[2-[(2-ethylphenyl)amino]-2-oxoethyl] 2-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoyl]hydrazinecarbothioate | slow binding and slowly reversible inhibitor. 7- to 151fold greater selectivity towards cathepsin L then papain and cathepsins B, K, V, and S with no activity against cathepsin G. Inhibitor lacks toxicitiy in human aortic endothelial cells and inhibits in vitro propagation of Plasmodium falciparum with an IC50 value of 15.4 microM and of Leishmania major with an IC50 value of 12.5 microM | Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
benzyloxycarbonyl-Phe-Arg-7-amido-4-methylcoumarin + H2O | - |
Homo sapiens | benzyloxycarbonyl-Phe-Arg + 7-amino-4-methylcoumarin | - |
? |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000001 | - |
pH 5.5, preincubation with enzyme 4 h before substrate addition | Homo sapiens | S-[2-[(2-ethylphenyl)amino]-2-oxoethyl] 2-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoyl]hydrazinecarbothioate | |
0.0000075 | - |
pH 5.5, preincubation with enzyme 1 h before substrate addition | Homo sapiens | S-[2-[(2-ethylphenyl)amino]-2-oxoethyl] 2-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoyl]hydrazinecarbothioate | |
0.000056 | - |
pH 5.5 | Homo sapiens | S-[2-[(2-ethylphenyl)amino]-2-oxoethyl] 2-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoyl]hydrazinecarbothioate |