Reaction Details  Report a problem with these data
Target
Lactoylglutathione lyase
Ligand
BDBM7457
Substrate
n/a
Meas. Tech.
ChEMBL_71295 (CHEMBL684310)
Ki
13200±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]
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:
BDBM7457
Synonyms:
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone;dihydrate | CHEMBL31574 | Fisetin (14) | Fisetin, 15 | fisetin
Type:
Small organic molecule
Emp. Form.:
C15H10O6
Mol. Mass.:
286.2363
SMILES:
Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Structure:
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