Reaction Details Report a problem with these data
Target
Lactoylglutathione lyase
Ligand
BDBM50227452
Substrate
n/a
Meas. Tech.
ChEMBL_71295 (CHEMBL684310)
Ki
10000±n/a nM
Citation
 Doweyko, AM The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules. J Med Chem 31:1396-406 (1988) [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:
BDBM50227452
Synonyms:
CHEMBL281309
Type:
Small organic molecule
Emp. Form.:
C18H33N3O6S
Mol. Mass.:
419.536
SMILES:
CCCCCCCCSCC(NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Structure:
Search PDB for entries with ligand similarity: