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Target
Lactoylglutathione lyase
Ligand
BDBM50059989
Substrate
n/a
Meas. Tech.
ChEMBL_716548 (CHEMBL1670272)
Ki
18000±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:
BDBM50059989
Synonyms:
(1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one | (1E,6E)-1,7-Bis-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione | 1,7-bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione | 1,7-bis(4-hydroxyphenyl)-3-hydroxy-1,3,6-heptatrien-5-one | 5-Hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one | 5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one | CHEMBL105350 | CHEMBL131770 | bis-demethoxycurcumin | cid_5324473 | curcumin III
Type:
Small organic molecule
Emp. Form.:
C19H16O4
Mol. Mass.:
308.3279
SMILES:
Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4|
Structure:
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