Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1 [K65Q]
Ligand
BDBM50009777
Substrate
n/a
Meas. Tech.
ChEMBL_31336 (CHEMBL645542)
IC50
7±n/a nM
Citation
 Fresneau, P; Cussac, M; Morand, JM; Szymonski, B; Tranqui, D; Leclerc, G Synthesis, activity, and molecular modeling of new 2, 4-dioxo-5-(naphthylmethylene)-3-thiazolidineacetic acids and 2-thioxo analogues as potent aldose reductase inhibitors. J Med Chem 41:4706-15 (1998) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1 [K65Q]
Synonyms:
AKR1B1 | ALDR_BOVIN | Aldose reductase
Type:
Protein
Mol. Mass.:
35916.27
Organism:
Bos taurus (Cattle)
Description:
P16116[K65Q]
Residue:
315
Sequence:
AHNIVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLALQAKLQEQVVKREDLFIVSKLWCTYHDKDLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKDFFPLDEDGNVIPSEKDFVDTWTAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIECHPYLTQEKLIQYCNSKGIVVTAYSPLGSPDRPWAKPEDPSILEDPRIKAIADKYNKTTAQVLIRFPIQRNLIVIPKSVTPERIAENFQVFDFELDKEDMNTLLSYNRDWRACALVSCASHRDYPFHEEF
  
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: