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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | Aldose Reductase (ALR2) Mutant (L300P) | ||
| Syringe Reactant: | BDBM16312 | ||
| Meas. Tech.: | Isothermal Titration Calorimetry | ||
| Entry Date: | 07/18/07 | ||
| ΔG°: | -9.26± (kcal/mole) | ||
| pH: | 8±n/a | ||
| Log10Kb: | 6.79± 5 | ||
| Temperature: | 298±n/a (K) | ||
| ΔH° : | n/a | ||
| ΔHobs : | -11.2±0.170 (kcal/mole) | ||
| Ionic Strength: | n/a | ||
| no | |||
| Protons Released: | n/a | ||
| ΔCp : | n/a | ||
| Stoich. Param.: | n/a | ||
| ΔS° : | -0.0100± (kcal/mole-K) | ||
| Comments: | n/a | ||
| 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 Chem48:5659-65 (2005) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
| Aldose Reductase (ALR2) Mutant (L300P) | |||
| Source: | Human aldose reductase was expressed and purified in E. coli. | ||
| Purity: | n/a | ||
| 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: | Aldose Reductase (ALR2) Mutant (L300P) | ||
| Synonyms: | AR | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 36121.22 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 319 | ||
| Sequence: |
| ||
| BDBM16312 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| 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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