Reaction Details Report a problem with these data
Target
Glyoxalase I
Ligand
BDBM50195360
Substrate
n/a
Meas. Tech.
ChEMBL_424952 (CHEMBL911358)
Ki
2190±n/a nM
Citation
 More, SS; Vince, R A metabolically stable tight-binding transition-state inhibitor of glyoxalase-I. Bioorg Med Chem Lett 16:6039-42 (2006) [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:
BDBM50195360
Synonyms:
(2S)-2-amino-3-[({[(1R)-1-[({[(4-bromophenyl)(hydroxy)amino]carbonyl}thio)methyl]-2-(carboxyamino)-2-oxoethyl]amino}carbonyl)amino]propanoic acid | (S)-2-amino-3-(3-((R)-3-((4-bromophenyl)hydroxycarbamoylthio)-1-(carboxymethylamino)-1-oxopropan-2-yl)ureido)propanoic acid | CHEMBL221011
Type:
Small organic molecule
Emp. Form.:
C16H20BrN5O8S
Mol. Mass.:
522.328
SMILES:
N[C@@H](CNC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(O)=O)C(O)=O
Structure:
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