Reaction Details Report a problem with these data
Target
Glyoxalase I
Ligand
BDBM50294133
Substrate
n/a
Meas. Tech.
ChEMBL_571116 (CHEMBL1030416)
Ki
12800±n/a nM
Citation
 More, SS; Vince, R Inhibition of glyoxalase I: the first low-nanomolar tight-binding inhibitors. J Med Chem 52:4650-6 (2009) [PubMed]  Article 
Target
Name:
Glyoxalase I
Synonyms:
GLO1 | LGUL_YEAST | Lactoylglutathione lyase
Type:
PROTEIN
Mol. Mass.:
37210.98
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_571116
Residue:
326
Sequence:
MSTDSTRYPIQIEKASNDPTLLLNHTCLRVKDPARTVKFYTEHFGMKLLSRKDFEEAKFSLYFLSFPKDDIPKNKNGEPDVFSAHGVLELTHNWGTEKNPDYKINNGNEEPHRGFGHICFSVSDINKTCEELESQGVKFKKRLSEGRQKDIAFALGPDGYWIELITYSREGQEYPKGSVGNKFNHTMIRIKNPTRSLEFYQNVLGMKLLRTSEHESAKFTLYFLGYGVPKTDSVFSCESVLELTHNWGTENDPNFHYHNGNSEPQGYGHICISCDDAGALCKEIEVKYGDKIQWSPKFNQGRMKNIAFLKDPDGYSIEVVPHGLIA
  
Inhibitor
Name:
BDBM50294133
Synonyms:
(S)-2-Amino-3-{3-[(R)-1-(4-bromo-benzylsulfanylmethyl)-2-carboxyamino-2-oxo-ethyl]-ureido}-propionic acid | CHEMBL560039
Type:
Small organic molecule
Emp. Form.:
C16H21BrN4O6S
Mol. Mass.:
477.33
SMILES:
N[C@@H](CNC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O |r|
Structure:
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