Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50009777
Substrate
n/a
Meas. Tech.
ChEMBL_31797 (CHEMBL643203)
IC50
21±n/a nM
Citation
 Negoro, T; Murata, M; Ueda, S; Fujitani, B; Ono, Y; Kuromiya, A; Komiya, M; Suzuki, K; Matsumoto, J Novel, highly potent aldose reductase inhibitors: (R)-(-)-2-(4-bromo-2-fluorobenzyl)-1,2,3,4- tetrahydropyrrolo[1,2-a]pyrazine -4-spiro-3'-pyrrolidine-1,2',3,5'-tetrone (AS-3201) and its congeners. J Med Chem 41:4118-29 (1998) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AKR1B1 | ALDR_PIG | ALR2 | AR | Aldose reductase
Type:
PROTEIN
Mol. Mass.:
35865.31
Organism:
Sus scrofa
Description:
ChEMBL_502637
Residue:
316
Sequence:
MASHLVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLGLQEKLQGQVVKREDLFIVSKLWCTDHEKNLVKGACQTTLRDLKLDYLDLYLIHWPTGFKPGKDPFPLDGDGNVVPDESDFVETWEAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIEVHPYLTQEKLIEYCKSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKYNKTTAQVLIRFPMQRNLIVIPKSVTPERIAENFQVFDFELSPEDMNTLLSYNRNWRVCALMSCASHKDYPFHEEY
  
Inhibitor
Name:
BDBM50009777
Synonyms:
(ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid | CHEMBL7679 | Ponalrestat | Ponalrestat (statil) | [3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid | [3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid(ponalrestat)
Type:
Small organic molecule
Emp. Form.:
C17H12BrFN2O3
Mol. Mass.:
391.191
SMILES:
OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: