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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50080468
Substrate
n/a
Meas. Tech.
ChEMBL_1475201 (CHEMBL3424956)
IC50
4060±n/a nM
Citation
 Stefek, M; Soltesova Prnova, M; Majekova, M; Rechlin, C; Heine, A; Klebe, G Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold. J Med Chem 58:2649-57 (2015) [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:
BDBM50080468
Synonyms:
CHEMBL3422331
Type:
Small organic molecule
Emp. Form.:
C22H21N5O3S
Mol. Mass.:
435.499
SMILES:
Cc1cc(C)c(NC(=O)CSc2nnc3c4ccccc4n(CC(O)=O)c3n2)c(C)c1
Structure:
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