Reaction Details  Report a problem with these data
Cell Reactant:
Aldose reductase (AR)
Syringe Reactant:
BDBM16312
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
07/18/07
ΔG°:
-37.9±n/a (kJ/mole)
pH:
8±n/a
Log10Kb:
5.8
Temperature:
298±n/a (K)
ΔHobs :
-51.8±0.8 (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
-0.0466±n/a (kJ/mole-K)
Citation
 Petrova, T; Steuber, H; Hazemann, I; Cousido-Siah, A; Mitschler, A; Chung, R; Oka, M; Klebe, G; El-Kabbani, O; Joachimiak, A; Podjarny, A Factorizing selectivity determinants of inhibitor binding toward aldose and aldehyde reductases: structural and thermodynamic properties of the aldose reductase mutant Leu300Pro-fidarestat complex. J Med Chem 48:5659-65 (2005) [PubMed]  Article
Cell React
Source:
Human aldose reductase was expressed and purified in E. coli.
Prep. Method:
The protein was saturated with an excess of NADP+. Solution was degassed at 293K under vacuum for 10 min. Upon experimental setup, the protein solution in the sample cell was stirred at 400 rpm.
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
  
Syringe React
Name:
BDBM16312
Synonyms:
(4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione | CHEMBL266497 | Sorbinil
Type:
Small organic molecule
Emp. Form.:
C11H9FN2O3
Mol. Mass.:
236.1992
SMILES:
Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Structure:
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