Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM16246
Substrate
BDBM16241
Meas. Tech.
Enzyme Inhibition Assay
pH
6.2±n/a
Temperature
303.15±n/a K
IC50
100000±n/a nM
Citation
 Steuber, H; Zentgraf, M; La Motta, C; Sartini, S; Heine, A; Klebe, G Evidence for a novel binding site conformer of aldose reductase in ligand-bound state. J Mol Biol 369:186-97 (2007) [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:
BDBM16246
Synonyms:
2-(13-amino-3,5,5-trioxo-5-thia-4-azatricyclo[7.4.0.0^{2,6}]trideca-1,6,8,10,12-pentaen-4-yl)acetic acid | naphtho[1,2-d]isothiazole acetic acid deriv. 9
Type:
Small organic molecule
Emp. Form.:
C13H10N2O5S
Mol. Mass.:
306.294
SMILES:
Nc1cccc2ccc3c(C(=O)N(CC(O)=O)S3(=O)=O)c12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM16241
Synonyms:
2,3-dihydroxypropanal | D,L-glyceraldehyde | Glycerinformal | Glycerose
Type:
Small organic molecule
Emp. Form.:
C3H6O3
Mol. Mass.:
90.0779
SMILES:
OCC(O)C=O
Structure:
Search PDB for entries with ligand similarity: