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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | Farnesyl Diphosphate Synthase (FPPS) | ||
| Syringe Reactant: | BDBM12576 | ||
| Meas. Tech.: | Isothermal Titration Calorimetry | ||
| Entry Date: | 12/13/06 | ||
| ΔG°: | -8.68± (kcal/mole) | ||
| pH: | 8.5±n/a | ||
| Log10Kb: | 6.36± n/a | ||
| Temperature: | 300±n/a (K) | ||
| ΔH° : | n/a | ||
| ΔHobs : | -10.4± (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: | IC50=2 uM | ||
| Citation |  Yin, F; Cao, R; Goddard, A; Zhang, Y; Oldfield, E Enthalpy versus entropy-driven binding of bisphosphonates to farnesyl diphosphate synthase. J Am Chem Soc128:3524-5 (2006) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
| Farnesyl Diphosphate Synthase (FPPS) | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name: | Farnesyl Diphosphate Synthase (FPPS) | ||
| Synonyms: | n/a | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 41958.09 | ||
| Organism: | Trypanosoma brucei | ||
| Description: | Q86C09 | ||
| Residue: | 367 | ||
| Sequence: |
| ||
| BDBM12576 | |||
| Source: | n/a | ||
| Purity: | n/a | ||
| Prep. Method: | n/a | ||
| Name | BDBM12576 | ||
| Synonyms: | Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound 64 | RIS | Risdronate | US11279719, Example Risedronic acid RIS | [1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid | ||
| Type | Small organic molecule | ||
| Emp. Form. | C7H11NO7P2 | ||
| Mol. Mass. | 283.1123 | ||
| SMILES | OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O | ||
| Structure | 
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