Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM16460
Substrate
BDBM16241
Meas. Tech.
Enzyme Inhibition Assay
IC50
4900±n/a nM
Citation
 Van Zandt, MCJones, MLGunn, DEGeraci, LSJones, JHSawicki, DRSredy, JJacot, JLDicioccio, ATPetrova, TMitschler, APodjarny, 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 
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:
Homo sapiens (Human)
Description:
n/a
Residue:
325
Sequence:
MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAVKYALSVGYRHIDCAAIYGNEPEIGEALKEDVGPGKAVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFERGDNPFPKNADGTICYDSTHYKETWKALEALVAKGLVQALGLSNFNSRQIDDILSVASVRPAVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRDPDEPVLLEEPVVLALAEKYGRSPAQILLRWQVQRKVICIPKSITPSRILQNIKVFDFTFSPEEMKQLNALNKNWRYIVPMLTVDGKRVPRDAGHPLYPFNDPY
  
Inhibitor
Name:
BDBM16460
Synonyms:
2-(5-chloro-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-1H-indol-1-yl)acetic acid | Indoleacetic Acid Inhibitor 19
Type:
Small organic molecule
Emp. Form.:
C19H12ClF3N2O2S
Mol. Mass.:
424.824
SMILES:
OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2cc(Cl)ccc12
Structure:
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Substrate
Name:
BDBM16241
Synonyms:
2,3-dihydroxypropanal | D,L-glyceraldehyde | Glycerinformal | Glycerose
Type:
Small organic molecule
Emp. Form.:
C3H6O3
Mol. Mass.:
90.0779
SMILES:
OCC(O)C=O
Structure:
Search PDB for entries with ligand similarity: