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Literature summary for 3.4.24.27 extracted from

  • Khan, M.T.; Fuskevag, O.M.; Sylte, I.
    Discovery of potent thermolysin inhibitors using structure based virtual screening and binding assays (2009), J. Med. Chem., 52, 48-61.
    View publication on PubMed
Search for more literature for 3.4.24.27

Crystallization (Commentary)

Crystallization (Comment) Organism
resiudes H142, H146, and E166 coordinate the catalytic zinc, while E143 and H231 are required for the catalytic activity Bacillus thermoproteolyticus

Inhibitors

Inhibitors Comment Organism Structure
1-beta-D-arabinofuranosyl-N4-lauroylcytosine competitive Bacillus thermoproteolyticus
2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide competitive Bacillus thermoproteolyticus
5-bromo-N-(4-bromophenyl)-2-hydroxy-3-nitro-benzamide competitive Bacillus thermoproteolyticus
additional information identification of inhibitors by structure based virtual screening and study of binding modes by docking Bacillus thermoproteolyticus
N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide competitive Bacillus thermoproteolyticus
N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-benzamide competitive Bacillus thermoproteolyticus
N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide competitive Bacillus thermoproteolyticus
N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-nitro-benzamide competitive Bacillus thermoproteolyticus
N-(2-chloro-6-methylphenyl)-2-hydroxy-3-nitrobenzamide competitive Bacillus thermoproteolyticus
N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide competitive Bacillus thermoproteolyticus
N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-benzamide competitive Bacillus thermoproteolyticus
oxyquinoline
-
 Bacillus thermoproteolyticus

Metals/Ions

Metals/Ions Comment Organism Structure
Zn2+ residues H142, H146, and E166 coordinate the catalytic zinc Bacillus thermoproteolyticus

Organism

Organism UniProt Comment Textmining
Bacillus thermoproteolyticus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1-beta-D-arabinofuranosyl-N4-lauroylcytosine + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
5-bromo-N-(4-bromophenyl)-2-hydroxy-3-nitro-benzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-benzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-nitro-benzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
N-(2-chloro-6-methylphenyl)-2-hydroxy-3-nitrobenzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-benzamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
N-[3-(2-furyl)acryloyl]glycyl-L-leucinamide + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?
oxyquinoline + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000000064
-
 1-beta-D-arabinofuranosyl-N4-lauroylcytosine 25°C, pH 7.5 Bacillus thermoproteolyticus
0.047
-
 N-(2-chloro-6-methylphenyl)-2-hydroxy-3-nitrobenzamide 25°C, pH 7.5 Bacillus thermoproteolyticus
0.214
-
 oxyquinoline 25°C, pH 7.5 Bacillus thermoproteolyticus
1.45
-
 N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide 25°C, pH 7.5 Bacillus thermoproteolyticus
2.06
-
 2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide 25°C, pH 7.5 Bacillus thermoproteolyticus
2.95
-
 N-(2-ethylphenyl)-2-hydroxy-3-nitrobenzamide 25°C, pH 7.5 Bacillus thermoproteolyticus
4.81
-
 5-bromo-N-(4-bromophenyl)-2-hydroxy-3-nitro-benzamide 25°C, pH 7.5 Bacillus thermoproteolyticus
8.14
-
 N-(5-chloro-2-methoxyphenyl)-2-hydroxy-3-nitro-benzamide 25°C, pH 7.5 Bacillus thermoproteolyticus
161
-
 N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-benzamide 25°C, pH 7.5 Bacillus thermoproteolyticus
294
-
 N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro-benzamide 25°C, pH 7.5 Bacillus thermoproteolyticus
697
-
 N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-nitro-benzamide 25°C, pH 7.5 Bacillus thermoproteolyticus