Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50563402
Substrate
n/a
Meas. Tech.
ChEMBL_2082245 (CHEMBL4738036)
IC50
6.9±n/a nM
Citation
 Zhang, X; Chen, H; Lei, Y; Zhang, X; Xu, L; Liu, W; Fan, Z; Ma, Z; Yin, Z; Li, L; Zhu, C; Ma, B Multifunctional agents based on benzoxazolone as promising therapeutic drugs for diabetic nephropathy. Eur J Med Chem 215:0 (2021) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
ALDR_RAT | Akr1b1 | Akr1b4 | Aldose reductase | Aldr1
Type:
PROTEIN
Mol. Mass.:
35797.87
Organism:
Rattus norvegicus
Description:
ChEMBL_1512484
Residue:
316
Sequence:
MASHLELNNGTKMPTLGLGTWKSPPGQVTEAVKVAIDMGYRHIDCAQVYQNEKEVGVALQEKLKEQVVKRQDLFIVSKLWCTFHDQSMVKGACQKTLSDLQLDYLDLYLIHWPTGFKPGPDYFPLDASGNVIPSDTDFVDTWTAMEQLVDEGLVKAIGVSNFNPLQIERILNKPGLKYKPAVNQIECHPYLTQEKLIEYCHCKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKEIAAKYNKTTAQVLIRFPIQRNLVVIPKSVTPARIAENFKVFDFELSNEDMATLLSYNRNWRVCALMSCAKHKDYPFHAEV
  
Inhibitor
Name:
BDBM50563402
Synonyms:
CHEMBL4782479
Type:
Small organic molecule
Emp. Form.:
C18H15NO6
Mol. Mass.:
341.3148
SMILES:
COc1cc(\C=C\c2cccc3n(CC(O)=O)c(=O)oc23)ccc1O
Structure:
Search PDB for entries with ligand similarity: