Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM16461
Substrate
BDBM16241
Meas. Tech.
Enzyme Inhibition Assay
pH
6.6±n/a
Temperature
310.15±n/a K
IC50
52±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 B1
Synonyms:
AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR)
Type:
Protein
Mol. Mass.:
35855.50
Organism:
Homo sapiens (Human)
Description:
P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
  
Inhibitor
Name:
BDBM16461
Synonyms:
2-(6-bromo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-1H-indol-1-yl)acetic acid | Indoleacetic Acid Inhibitor 20
Type:
Small organic molecule
Emp. Form.:
C19H12BrF3N2O2S
Mol. Mass.:
469.275
SMILES:
OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccc(Br)cc12
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: