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Target
Lactoylglutathione lyase
Ligand
BDBM50336257
Substrate
n/a
Meas. Tech.
ChEMBL_716548 (CHEMBL1670272)
Ki
2600±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:
BDBM50336257
Synonyms:
4-(3-fluorobenzylidene)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione | CHEMBL1669728
Type:
Small organic molecule
Emp. Form.:
C28H23FO6
Mol. Mass.:
474.477
SMILES:
[#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](=[#6]/c2cccc(F)c2)\[#6](=O)\[#6]=[#6]\c2ccc(-[#8])c(-[#8]-[#6])c2)ccc1-[#8]
Structure:
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