Reaction Details Report a problem with these data
Target
Lactoylglutathione lyase
Ligand
BDBM50126960
Substrate
n/a
Meas. Tech.
ChEMBL_1524147 (CHEMBL3631232)
Ki
0.300000±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:
BDBM50126960
Synonyms:
CHEMBL3629116
Type:
Small organic molecule
Emp. Form.:
C58H78Br2N14O26S2
Mol. Mass.:
1611.256
SMILES:
ON(C(=O)SCC(NC(=O)CCC(NCCC(=O)OCCNC(=O)CCNC(=O)CC(=O)NCCNC(=O)CC(=O)NCCC(=O)NCCOC(=O)CCNC(CCC(=O)NC(CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O)C(O)=O)C(=O)NCC(O)=O)c1ccc(Br)cc1
Structure:
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