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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM16314
Substrate
n/a
Meas. Tech.
ChEMBL_31756 (CHEMBL645284)
IC50
24±n/a nM
Citation
 Malamas, MS; Hohman, TC; Millen, J Novel spirosuccinimide aldose reductase inhibitors derived from isoquinoline-1,3-diones: 2-[(4-bromo-2-fluorophenyl)methyl]-6- fluorospiro[isoquinoline-4(1H),3'-pyrrolidine]-1,2',3,5'(2H)-tetrone and congeners. 1. J Med Chem 37:2043-58 (1994) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AR | Aldose reductase | Aldose Reductase (ALR2) | Aldo-keto reductase family 1 member B1 (AKR1B1) | ALDR_HUMAN | AKR1B1 | ALDR1 | ALR2 | Aldose reductase (AR)
Type:
Protein
Mol. Mass.:
35855.50
Organism:
Human
Description:
P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
  
Inhibitor
Name:
BDBM16314
Synonyms:
N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine | Alredase | 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid | CHEMBL436 | Tolrestat
Type:
Small organic molecule
Emp. Form.:
C16H14F3NO3S
Mol. Mass.:
357.06
SMILES:
CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC
Structure:
Search PDB for entries with ligand similarity: