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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | Thrombin | ||
| Syringe Reactant: | BDBM32657 | ||
| Meas. Tech.: | Isothermal Titration Calorimetry | ||
| Entry Date: | 10/13/09 | ||
| ΔG°: | -11.3±0.190 (kcal/mole) | ||
| pH: | 7.8±n/a | ||
| Log10Kb: | n/a | ||
| Temperature: | 298.15±n/a (K) | ||
| ΔH° : | n/a | ||
| ΔHobs : | -10.5±1.17 (kcal/mole) | ||
| Ionic Strength: | n/a | ||
| yes | |||
| Protons Released: | n/a | ||
| ΔCp : | n/a | ||
| Stoich. Param.: | n/a | ||
| ΔS° : | 0± (kcal/mole-K) | ||
| Comments: | n/a | ||
| Citation |  Baum, B; Muley, L; Heine, A; Smolinski, M; Hangauer, D; Klebe, G Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. J Mol Biol391:552-64 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
| Thrombin | |||
| Source: | Beriplas, CSL Behring | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name: | Prothrombin | ||
| Synonyms: | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain | ||
| Type: | Protein | ||
| Mol. Mass.: | 70029.57 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P00734 | ||
| Residue: | 622 | ||
| Sequence: |
| ||
| BDBM32657 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name | BDBM32657 | ||
| Synonyms: | benzamidine- based compound, 6 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H31N5O2 | ||
| Mol. Mass. | 469.578 | ||
| SMILES | N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N |r| | ||
| Structure | 
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