Reaction Details
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Aldo-keto reductase family 1 member B1
Ligand
BDBM110176
Substrate
n/a
Meas. Tech.
AR Activity
pH
6.2±n/a
Temperature
310.15±n/a K
IC50
1.880e+4±n/a nM
Comments
extracted
Citation
Kadam, A; Dawane, B; Pawar, M; Shegokar, H; Patil, K; Meshram, R; Gacche, R Development of novel pyrazolone derivatives as inhibitors of aldose reductase: an eco-friendly one-pot synthesis, experimental screening and in silico analysis. Bioorg Chem 53:67-74 (2014) [PubMed] Article More Info.:
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR)
Type:
Protein
Mol. Mass.:
35855.50
Organism:
Homo sapiens (Human)
Description:
P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
Inhibitor
Name:
BDBM110176
Synonyms:
3-Amino-4-(4I-fluoro benzylidene)-1H-pyrazol-5(4H)-one (1b)
Type:
Small organic molecule
Emp. Form.:
C11H9FN2O
Mol. Mass.:
204.2004
SMILES:
NC1=CNC(=O)C1=Cc1ccc(F)cc1 |w:7.8,t:1|
Structure:
