Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50003616
Substrate
n/a
Meas. Tech.
ChEMBL_1746132 (CHEMBL4180642)
IC50
56100±n/a nM
Citation
 Majekova, MBallekova, JPrnova, MStefek, M Structure optimization of tetrahydropyridoindole-based aldose reductase inhibitors improved their efficacy and selectivity. Bioorg Med Chem 25:6353-6360 (2017) [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:
BDBM50003616
Synonyms:
2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n-propylessigsaeure | VALPROIC ACID | Valproinsaeure | dipropylacetic acid | n-DPA
Type:
Small organic molecule
Emp. Form.:
C8H16O2
Mol. Mass.:
144.2114
SMILES:
CCCC(CCC)C(O)=O
Structure:
Search PDB for entries with ligand similarity: