Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50558446
Substrate
n/a
Meas. Tech.
ChEMBL_2063703 (CHEMBL4718956)
IC50
25100±n/a nM
Citation
 Saito, R; Suzuki, S; Sasaki, K Pterin-7-carboxamides as a new class of aldose reductase inhibitors. Bioorg Med Chem Lett 26:4870-4874 (2016) [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:
BDBM50558446
Synonyms:
CHEMBL4789697
Type:
Small organic molecule
Emp. Form.:
C17H16N6O4
Mol. Mass.:
368.3467
SMILES:
Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)N[C@@H](CCc1ccccc1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: