Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50049730
Substrate
n/a
Meas. Tech.
ChEMBL_800764 (CHEMBL1948100)
IC50
100±n/a nM
Citation
 Minehira, D; Takeda, D; Urata, H; Kato, A; Adachi, I; Wang, X; Matsuya, Y; Sugimoto, K; Takemura, M; Endo, S; Matsunaga, T; Hara, A; Koseki, J; Narukawa, K; Hirono, S; Toyooka, N Design, synthesis, and biological evaluation of novel (1-thioxo-1,2,3,4-tetrahydro-ß-carbolin-9-yl)acetic acids as selective inhibitors for AKR1B1. Bioorg Med Chem 20:356-67 (2011) [PubMed]  Article 
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:
BDBM50049730
Synonyms:
2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid | CHEMBL56337 | Epalrestat | {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C15H13NO3S2
Mol. Mass.:
319.399
SMILES:
C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Structure:
Search PDB for entries with ligand similarity: