Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM16495
Substrate
BDBM16241
Meas. Tech.
Enzyme Inhibition Assay
IC50
6500±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:
BDBM16495
Synonyms:
2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}propanoic acid | Indoleacetic Acid Inhibitor 51
Type:
Small organic molecule
Emp. Form.:
C19H13F3N2O2S
Mol. Mass.:
390.379
SMILES:
CC(C(O)=O)n1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity:
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: