Reaction Details Report a problem with these data
Target
Lactoylglutathione lyase
Ligand
BDBM50126958
Substrate
n/a
Meas. Tech.
ChEMBL_1524150 (CHEMBL3631235)
Ki
130±n/a nM
Citation
 Sang, Y; Shi, Q; Mo, M; Ni, C; Li, Z; Liu, B; Deng, Q; Creighton, DJ; Zheng, ZB Novel bivalent inhibitors with sub-nanomolar affinities towards human glyoxalase I. Bioorg Med Chem Lett 25:4724-7 (2015) [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:
BDBM50126958
Synonyms:
CHEMBL3629118
Type:
Small organic molecule
Emp. Form.:
C20H25ClN4O9S
Mol. Mass.:
532.952
SMILES:
CC(=O)CNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Cl)cc1)C(=O)NCC(O)=O)C(O)=O
Structure:
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