Reaction Details Report a problem with these data
Target
Lactoylglutathione lyase
Ligand
BDBM50241121
Substrate
n/a
Meas. Tech.
ChEMBL_1367245 (CHEMBL3300061)
Ki
80±n/a nM
Citation
 Holewinski, RJ; Creighton, DJ Inhibition by active site directed covalent modification of human glyoxalase I. Bioorg Med Chem 22:3301-8 (2014) [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:
BDBM50241121
Synonyms:
(S)-5-((R)-3-(4-bromobenzylthio)-1-(carboxymethylamino)-1-oxopropan-2-ylamino)-2-amino-5-oxopentanoic acid | CHEMBL218644 | S-p-bromobenzyl glutatione | S-p-bromobenzylglutathione
Type:
Small organic molecule
Emp. Form.:
C17H22BrN3O6S
Mol. Mass.:
476.342
SMILES:
N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O |r|
Structure:
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