Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM16238
Substrate
n/a
Meas. Tech.
IC50 Activity Assays
pH
7±n/a
Temperature
298.15±n/a K
IC50
4.0e+2± 2e+1 nM
Citation
 Fanfrlík, J; Fanfrlík, M; Kolár, M; Hurný, D; Hurný, FX; Cousido-Siah, A; Mitschler, A; Rezác, J; Rezác, E; Lep?ík, M; Lepšík, P; Matejícek, J; Veselý, A; Hobza, P Modulation of aldose reductase inhibition by halogen bond tuning. ACS Chem Biol 8:2484-92 (2013) [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:
BDBM16238
Synonyms:
2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5-chlorophenoxy)acetic acid | IDD 388 | IDD388 | {2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Type:
Small organic molecule
Emp. Form.:
C16H12BrClFNO4
Mol. Mass.:
416.626
SMILES:
OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F
Structure:
Search PDB for entries with ligand similarity: