Reaction Details  Report a problem with these data
Cell Reactant:
Farnesyl Diphosphate Synthase (FPPS)
Syringe Reactant:
BDBM12579
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
12/13/06
ΔG°:
-31.1828±n/a (kJ/mole)
pH:
7.4±n/a
Temperature:
300±n/a (K)
ΔHobs :
-41.7164±n/a (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
-0.0353±n/a (kJ/mole-K)
Comments:
IC50=19.8 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 Soc 128:3524-5 (2006) [PubMed]  Article
Cell React
Name:
Farnesyl Diphosphate Synthase (FPPS)
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
41958.09
Organism:
Trypanosoma brucei
Description:
Q86C09
Residue:
367
Sequence:
MPMQMFMQVYDEIQMFLLEELELKFDMDPNRVRYLRKMMDTTCLGGKYNRGLTVIDVAESLLSLSPNNNGEEDDGARRKRVLHDACVCGWMIEFLQAHYLVEDDIMDNSVTRRGKPCWYRHPDVTVQCAINDGLLLKSWTHMMAMHFFADRPFLQDLLCRFNRVDYTTAVGQLYDVTSMFDSNKLDPDVSQPTTTDFAEFTLSNYKRIVKYKTAYYTYLLPLVMGLIVSEALPTVDMGVTEELAMLMGEYFQVQDDVMDCFTPPERLGKVGTDIQDAKCSWLAVTFLAKASSAQVAEFKANYGSGDSEKVATVRRLYEEADLQGDYVAYEAAVAEQVKELIEKLRLCSPGFAASVETLWGKTYKRQK
  
Syringe React
Name:
BDBM12579
Synonyms:
(1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic acid | Bisphosphonate 4 | CHEMBL56556
Type:
Small organic molecule
Emp. Form.:
C8H12O7P2
Mol. Mass.:
282.1242
SMILES:
OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Structure:
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