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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50025321
Substrate
n/a
Meas. Tech.
ChEMBL_490576 (CHEMBL981183)
IC50
169.82±n/a nM
Citation
 Mercader, AG; Duchowicz, PR; Fernández, FM; Castro, EA; Bennardi, DO; Autino, JC; Romanelli, GP QSAR prediction of inhibition of aldose reductase for flavonoids. Bioorg Med Chem 16:7470-6 (2008) [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:
BDBM50025321
Synonyms:
2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one | 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one | 5,3',4'-Trihydroxy-6,7-dimethoxyflavone | CHEMBL72637 | Cirsiliol
Type:
Small organic molecule
Emp. Form.:
C17H14O7
Mol. Mass.:
330.2889
SMILES:
COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1
Structure:
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