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Literature summary for 3.4.24.27 extracted from

  • Englert, L.; Silber, K.; Steuber, H.; Brass, S.; Over, B.; Gerber, H.D.; Heine, A.; Diederich, W.E.; Klebe, G.
    Fragment-based lead discovery: screening and optimizing fragments for thermolysin inhibition (2010), ChemMedChem, 5, 930-940.
    View publication on PubMed
Search for more literature for 3.4.24.27

Crystallization (Commentary)

Crystallization (Comment) Organism
native thermolysin in complex with 3-methylaspirin, 3-methylaspirin ethyl ester, and 3-methylaspirin cyclopropyl ester, sitting drop vapor diffusion method, using water as reservoir solution, at 18°C Bacillus thermoproteolyticus

Inhibitors

Inhibitors Comment Organism Structure
2-(acetyloxy)-3-chlorobenzoic acid
-
 Bacillus thermoproteolyticus
2-ethyl-3-hydroxyquinazolin-4(3H)-one
-
 Bacillus thermoproteolyticus
3-hydroxy-2-isopropylquinazolin-4(3H)-one
-
 Bacillus thermoproteolyticus
3-hydroxy-2-methylquinazolin-4(3H)-one
-
 Bacillus thermoproteolyticus
3-methylaspirin
-
 Bacillus thermoproteolyticus
additional information not inhibited by 3-hydroxy-2-methylthieno[3,2-d]pyrimidine-4(3H)-one and 3-(acetylamino)-4-methylthiophene-2-carboxylic acid Bacillus thermoproteolyticus

Organism

Organism UniProt Comment Textmining
Bacillus thermoproteolyticus P00800
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2-N-(4-[4'-N',N'-(dimethylamino)phenylazo]-benzoyl-L-serinyl-L-phenylalanylamido)-N''-ethylaminonaphthalene-5-sulfonic acid + H2O
-
 Bacillus thermoproteolyticus ?
-
 ?

Synonyms

Synonyms Comment Organism
TLN
-
 Bacillus thermoproteolyticus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.128
-
 3-hydroxy-2-isopropylquinazolin-4(3H)-one in 100 mM Tris/HCl, pH 7.5, 2 mM CaCl2, 4% (v/v) DMSO, at 25°C Bacillus thermoproteolyticus
0.315
-
 2-ethyl-3-hydroxyquinazolin-4(3H)-one in 100 mM Tris/HCl, pH 7.5, 2 mM CaCl2, 4% (v/v) DMSO, at 25°C Bacillus thermoproteolyticus
0.57
-
 2-(acetyloxy)-3-chlorobenzoic acid in 100 mM Tris/HCl, pH 7.5, 2 mM CaCl2, 4% (v/v) DMSO, at 25°C Bacillus thermoproteolyticus
0.93
-
 3-hydroxy-2-methylquinazolin-4(3H)-one in 100 mM Tris/HCl, pH 7.5, 2 mM CaCl2, 4% (v/v) DMSO, at 25°C Bacillus thermoproteolyticus
1.7
-
 3-methylaspirin in 100 mM Tris/HCl, pH 7.5, 2 mM CaCl2, 4% (v/v) DMSO, at 25°C Bacillus thermoproteolyticus