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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | BDBM17988 | ||
| Syringe Reactant: | Renin | ||
| Meas. Tech.: | Isothermal Titration Calorimetry | ||
| Entry Date: | 09/19/07 | ||
| ΔG°: | -9.27± (kcal/mole) | ||
| pH: | 7±n/a | ||
| Log10Kb: | 6.73± n/a | ||
| Temperature: | 301.15±n/a (K) | ||
| ΔH° : | n/a | ||
| ΔHobs : | -8.90± (kcal/mole) | ||
| Ionic Strength: | n/a | ||
| no | |||
| Protons Released: | n/a | ||
| ΔCp : | n/a | ||
| Stoich. Param.: | n/a | ||
| ΔS° : | 0± (kcal/mole-K) | ||
| Comments: | n/a | ||
| Citation |  Sarver, RW; Peevers, J; Cody, WL; Ciske, FL; Dyer, J; Emerson, SD; Hagadorn, JC; Holsworth, DD; Jalaie, M; Kaufman, M; Mastronardi, M; McConnell, P; Powell, NA; Quin, J; Van Huis, CA; Zhang, E; Mochalkin, I Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Anal Biochem360:30-40 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
| BDBM17988 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name | BDBM17988 | ||
| Synonyms: | 1,4-benzoxazin-3-one, 25 | 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one | diaminopyrimidine renin inhibitor compound, 7 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H27F2N5O3 | ||
| Mol. Mass. | 483.5104 | ||
| SMILES | CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1 | ||
| Structure | 
| ||
| Renin | |||
| Source: | Recombinant human renin expressed in CHO cells. | ||
| Purity: | Purified crystalizable protein. | ||
| Prep. Method: | Mature renin was eluted and loaded onto Blue Sepharose 6 Fast Flow. The unbound fraction containing renin was buffer exchanged and loaded onto POROS S/20. Renin was eluted and dialyzed. Purified renin was concentrated to 12 mg/mL and stored at -70C. | ||
| Name: | Renin | ||
| Synonyms: | Angiotensinogenase | REN | RENI_HUMAN | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 45058.99 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | n/a | ||
| Residue: | 406 | ||
| Sequence: |
| ||
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