Reaction Details | |||
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Report a problem with these data | |||
Cell Reactant: | BDBM18040 | ||
Syringe Reactant: | Renin | ||
Meas. Tech.: | Isothermal Titration Calorimetry | ||
Entry Date: | 09/19/07 | ||
ΔG°: | -37.8± (kJ/mole) | ||
pH: | 7±n/a | ||
Log10Kb: | 6.57± n/a | ||
Temperature: | 301.15±n/a (K) | ||
ΔH° : | n/a | ||
ΔHobs : | -8.78± (kJ/mole) | ||
Ionic Strength: | n/a | ||
no | |||
Protons Released: | n/a | ||
ΔCp : | n/a | ||
Stoich. Param.: | n/a | ||
ΔS° : | 0.0963± (kJ/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 | ||
BDBM18040 | |||
Source: | n/a | ||
Purity: | n/a | ||
Prep. Method: | n/a | ||
Name | BDBM18040 | ||
Synonyms: | 4-amino-N-{2-[2-({2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyrimidin-4-yl}amino)ethyl]phenyl}-3-methoxybenzamide | diaminopyrimidine renin inhibitor compound, 9 | ||
Type | Small organic molecule | ||
Emp. Form. | C36H43N7O5 | ||
Mol. Mass. | 653.7705 | ||
SMILES | CCc1nc(N)nc(NCCc2ccccc2NC(=O)c2ccc(N)c(OC)c2)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1 | ||
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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