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Cell Reactant:Farnesyl Diphosphate Synthase (FPPS)
Syringe Reactant:BDBM12577
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:12/13/06
 
ΔG°:-35.1± (kJ/mole)
pH:8.5±n/a
Log10Kb:6.16± n/a
Temperature:300±n/a (K)
ΔH° :n/a
ΔHobs :12.2± (kJ/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:no
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° : 0.1585± (kJ/mole-K)
Comments:IC50=12 uM
 
Citation Yin, FCao, RGoddard, AZhang, YOldfield, 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:
MPMQMFMQVYDEIQMFLLEELELKFDMDPNRVRYLRKMMDTTCLGGKYNRGLTVIDVAES
LLSLSPNNNGEEDDGARRKRVLHDACVCGWMIEFLQAHYLVEDDIMDNSVTRRGKPCWYR
HPDVTVQCAINDGLLLKSWTHMMAMHFFADRPFLQDLLCRFNRVDYTTAVGQLYDVTSMF
DSNKLDPDVSQPTTTDFAEFTLSNYKRIVKYKTAYYTYLLPLVMGLIVSEALPTVDMGVT
EELAMLMGEYFQVQDDVMDCFTPPERLGKVGTDIQDAKCSWLAVTFLAKASSAQVAEFKA
NYGSGDSEKVATVRRLYEEADLQGDYVAYEAAVAEQVKELIEKLRLCSPGFAASVETLWG
KTYKRQK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM12577
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM12577
Synonyms:Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound 53 | {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid
TypeSmall organic molecule
Emp. Form.C9H23NO7P2
Mol. Mass.319.2289
SMILESCCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
Structure

   
    

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Last update November 1, 2007
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