Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM16462
Substrate
BDBM16241
Meas. Tech.
Enzyme Inhibition Assay
IC50
2100±n/a nM
Citation
Van Zandt, MC; Jones, ML; Gunn, DE; Geraci, LS; Jones, JH; Sawicki, DR; Sredy, J; Jacot, JL; Dicioccio, AT; Petrova, T; Mitschler, A; Podjarny, AD Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. J Med Chem 48:3141-52 (2005) [PubMed] Article
More Info.:
Target
Name:
Aldo-keto reductase family 1 member A1
Synonyms:
AK1A1_HUMAN | AKR1A1 | ALDR1 | ALR | Alcohol dehydrogenase [NADP+] | Aldehyde Reductase (ALR1) | Aldehyde reductase | Aldo-keto reductase family 1 member A1
Type:
Enzyme
Mol. Mass.:
36574.11
Organism:
Human
Description:
n/a
Residue:
325
Sequence:
MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAVKYALSVGYRHIDCAAIYGNEPEIGEALKEDVGPGKAVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFERGDNPFPKNADGTICYDSTHYKETWKALEALVAKGLVQALGLSNFNSRQIDDILSVASVRPAVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRDPDEPVLLEEPVVLALAEKYGRSPAQILLRWQVQRKVICIPKSITPSRILQNIKVFDFTFSPEEMKQLNALNKNWRYIVPMLTVDGKRVPRDAGHPLYPFNDPY
Inhibitor
Name:
BDBM16462
Synonyms:
2-{3-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid | Indoleacetic Acid Inhibitor 21
Type:
Small organic molecule
Emp. Form.:
C18H13ClN2O2S
Mol. Mass.:
356.826
SMILES:
OC(=O)Cn1cc(Cc2nc3ccc(Cl)cc3s2)c2ccccc12