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Target
Lactoylglutathione lyase
Ligand
BDBM50336253
Substrate
n/a
Meas. Tech.
ChEMBL_716548 (CHEMBL1670272)
Ki
74000±n/a nM
Citation
 Yuan, M; Luo, M; Song, Y; Xu, Q; Wang, X; Cao, Y; Bu, X; Ren, Y; Hu, X Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies. Bioorg Med Chem 19:1189-96 (2011) [PubMed]  Article 
Target
Name:
Lactoylglutathione lyase
Synonyms:
Aldoketomutase | GLO1 | Glx I | Glyoxalase 1 (GLO1) | Glyoxalase I | Ketone-aldehyde mutase | LGUL_HUMAN | Methylglyoxalase | S-D-lactoylglutathione methylglyoxal lyase
Type:
Enzyme
Mol. Mass.:
20772.95
Organism:
Homo sapiens (Human)
Description:
Q04760
Residue:
184
Sequence:
MAEPQPPSGGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYTRVLGMTLIQKCDFPIMKFSLYFLAYEDKNDIPKEKDEKIAWALSRKATLELTHNWGTEDDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKMKGLAFIQDPDGYWIEILNPNKMATLM
  
Inhibitor
Name:
BDBM50336253
Synonyms:
5-hydroxy-7-(5-(hydroxymethyl)furan-2-yl)-1-(4-methoxyphenyl)hepta-1,4,6-trien-3-one | CHEMBL488901
Type:
Small organic molecule
Emp. Form.:
C19H18O5
Mol. Mass.:
326.3432
SMILES:
COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(CO)o2)cc1 |w:14.14,7.7|
Structure:
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