Reaction Details | |||
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Cell Reactant: | Farnesyl Diphosphate Synthase (FPPS) | ||
Syringe Reactant: | BDBM12578 | ||
Meas. Tech.: | Isothermal Titration Calorimetry | ||
Entry Date: | 12/13/06 | ||
ΔG°: | -9.93± (kcal/mole) | ||
pH: | 7.4±n/a | ||
Log10Kb: | 7.31± n/a | ||
Temperature: | 300±n/a (K) | ||
ΔH° : | n/a | ||
ΔHobs : | 1.65± (kcal/mole) | ||
Ionic Strength: | n/a | ||
no | |||
Protons Released: | n/a | ||
ΔCp : | n/a | ||
Stoich. Param.: | n/a | ||
ΔS° : | 0.0400± (kcal/mole-K) | ||
Comments: | IC50=0.4 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: |
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BDBM12578 | |||
Source: | n/a | ||
Purity: | n/a | ||
Prep. Method: | n/a | ||
Name | BDBM12578 | ||
Synonyms: | 2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosphonic acid | Bisphosphonate 3 | CGP-42446 | CHEMBL924 | JMC515594 Compound 55 | Reclast | US11279719, Example Zolendronic acid (ZOL) | ZOL | Zoledronate | Zometa | [1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid | zoledronic acid | ||
Type | Small organic molecule | ||
Emp. Form. | C5H10N2O7P2 | ||
Mol. Mass. | 272.0896 | ||
SMILES | OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O | ||
Structure |
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