Cell Reactant:
Aldose reductase (AR)
Syringe Reactant:
BDBM228823
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
05/30/17
ΔG°:
-29.6±0.2 (kJ/mole)
pH:
8±0
Log10Kb:
7
Temperature:
298±0 (K)
ΔH° :
-35.4±0.3 (kJ/mole)
ΔS° :
0.019±0.001 (kJ/mole-K)
Comments:
Direct titration
Citation
 Rechlin, CScheer, FTerwesten, FWulsdorf, TPol, EFridh, VToth, PDiederich, WEHeine, AKlebe, G Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis. ACS Chem Biol 12:1397-1415 (2017) [PubMed]  Article
Cell React
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
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
  
Syringe React
Name:
BDBM228823
Synonyms:
2-(2-Carbamoyl-5-fluorophenoxy)acetic acid (4)
Type:
Small organic molecule
Emp. Form.:
C9H8FNO4
Mol. Mass.:
213.1625
SMILES:
NC(=O)c1ccc(F)cc1OCC(O)=O
Structure:
Search PDB for entries with ligand similarity: