Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50378581
Substrate
n/a
Meas. Tech.
ChEMBL_811405 (CHEMBL2013617)
IC50
11300±n/a nM
Citation
 Lee, J; Lee, YM; Lee, BW; Kim, JH; Kim, JS Chemical constituents from the aerial parts of Aster koraiensis with protein glycation and aldose reductase inhibitory activities. J Nat Prod 75:267-70 (2012) [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:
BDBM50378581
Synonyms:
NICOTIFLOROSIDE
Type:
Small organic molecule
Emp. Form.:
C27H30O15
Mol. Mass.:
594.5181
SMILES:
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: