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Literature summary extracted from
- Discovery of potent thermolysin inhibitors using structure based virtual screening and binding assays (2009), J. Med. Chem., 52, 48-61.
Crystallization (Commentary)
| EC Number | Crystallization (Comment) | Organism |
|---|---|---|
| 3.4.24.27 | resiudes H142, H146, and E166 coordinate the catalytic zinc, while E143 and H231 are required for the catalytic activity | Bacillus thermoproteolyticus |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.4.24.27 | 1-beta-D-arabinofuranosyl-N4-lauroylcytosine | competitive | Bacillus thermoproteolyticus |  |
| 3.4.24.27 | 2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 5-bromo-N-(4-bromophenyl)-2-hydroxy-3-nitro-benzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | additional information | identification of inhibitors by structure based virtual screening and study of binding modes by docking | Bacillus thermoproteolyticus | |
| 3.4.24.27 | N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-benzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-nitro-benzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | N-(2-chloro-6-methylphenyl)-2-hydroxy-3-nitrobenzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-benzamide | competitive | Bacillus thermoproteolyticus | |
| 3.4.24.27 | oxyquinoline | - |
Bacillus thermoproteolyticus | |
Metals/Ions
| EC Number | Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.4.24.27 | Zn2+ | residues H142, H146, and E166 coordinate the catalytic zinc | Bacillus thermoproteolyticus | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 3.4.24.27 | Bacillus thermoproteolyticus | - |
- |
- |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.4.24.27 | 1-beta-D-arabinofuranosyl-N4-lauroylcytosine + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | 2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | 5-bromo-N-(4-bromophenyl)-2-hydroxy-3-nitro-benzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-benzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-nitro-benzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | N-(2-chloro-6-methylphenyl)-2-hydroxy-3-nitrobenzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-benzamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | N-[3-(2-furyl)acryloyl]glycyl-L-leucinamide + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
| 3.4.24.27 | oxyquinoline + H2O | - |
Bacillus thermoproteolyticus | ? | - |
? | |
Ki Value [mM]
| EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 3.4.24.27 | 0.000000064 | - |
1-beta-D-arabinofuranosyl-N4-lauroylcytosine | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 0.047 | - |
N-(2-chloro-6-methylphenyl)-2-hydroxy-3-nitrobenzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 0.214 | - |
oxyquinoline | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 1.45 | - |
N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 2.06 | - |
2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 2.95 | - |
N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 4.81 | - |
5-bromo-N-(4-bromophenyl)-2-hydroxy-3-nitro-benzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 8.14 | - |
N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-benzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 161 | - |
N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-benzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 294 | - |
N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
| 3.4.24.27 | 697 | - |
N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-nitro-benzamide | 25°C, pH 7.5 | Bacillus thermoproteolyticus | |
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