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Target
Aldo-keto reductase family 1 member B1 [K65Q]
Ligand
BDBM50068076
Substrate
n/a
Meas. Tech.
ChEMBL_31336 (CHEMBL645542)
IC50
79±n/a nM
Citation
 Fresneau, P; Cussac, M; Morand, JM; Szymonski, B; Tranqui, D; Leclerc, G Synthesis, activity, and molecular modeling of new 2, 4-dioxo-5-(naphthylmethylene)-3-thiazolidineacetic acids and 2-thioxo analogues as potent aldose reductase inhibitors. J Med Chem 41:4706-15 (1998) [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:
BDBM50068076
Synonyms:
CHEMBL143933 | {5-[1-(1-Nitro-naphthalen-2-yl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C16H10N2O5S2
Mol. Mass.:
374.391
SMILES:
OC(=O)Cn1c([O-])c([CH+]c2ccc3ccccc3c2[N+]([O-])=O)sc1=S
Structure:
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