Cell Reactant:
Aldose reductase (AR)
Syringe Reactant:
BDBM228825
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
05/30/17
ΔG°:
-41.7±0.2 (kJ/mole)
pH:
8±0
Temperature:
298±0 (K)
ΔH° :
-50.6±0.7 (kJ/mole)
ΔS° :
0.03±0.003 (kJ/mole-K)
Comments:
Displacement titration with 4 as a Weak Ligand
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:
BDBM228825
Synonyms:
2-(2-((Benzo[d]thiazol-2-ylmethyl)carbamoyl)-5-fluorophenoxy)acetic acid (7)
Type:
Small organic molecule
Emp. Form.:
C17H13FN2O4S
Mol. Mass.:
360.36
SMILES:
OC(=O)COc1cc(F)ccc1C(=O)NCc1nc2ccccc2s1
Structure:
Search PDB for entries with ligand similarity: