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Target
Aldo-keto reductase family 1 member B1 [K65Q]
Ligand
BDBM50016239
Substrate
n/a
Meas. Tech.
ChEMBL_1348462 (CHEMBL3266777)
IC50
9200±n/a nM
Citation
 Maccari, R; Vitale, RM; Ottaną, R; Rocchiccioli, M; Marrazzo, A; Cardile, V; Graziano, AC; Amodeo, P; Mura, U; Del Corso, A Structure-activity relationships and molecular modelling of new 5-arylidene-4-thiazolidinone derivatives as aldose reductase inhibitors and potential anti-inflammatory agents. Eur J Med Chem 81:1-14 (2014) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1 [K65Q]
Synonyms:
AKR1B1 | ALDR_BOVIN | Aldose reductase
Type:
Protein
Mol. Mass.:
35916.27
Organism:
Bos taurus (Cattle)
Description:
P16116[K65Q]
Residue:
315
Sequence:
AHNIVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLALQAKLQEQVVKREDLFIVSKLWCTYHDKDLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKDFFPLDEDGNVIPSEKDFVDTWTAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIECHPYLTQEKLIQYCNSKGIVVTAYSPLGSPDRPWAKPEDPSILEDPRIKAIADKYNKTTAQVLIRFPIQRNLIVIPKSVTPERIAENFQVFDFELDKEDMNTLLSYNRDWRACALVSCASHRDYPFHEEF
  
Inhibitor
Name:
BDBM50016239
Synonyms:
CHEMBL3262469
Type:
Small organic molecule
Emp. Form.:
C13H12N2O4S2
Mol. Mass.:
324.375
SMILES:
COc1ccc(\C=C2/SC(=S)NC2=O)cc1OCC(N)=O
Structure:
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