Reaction Details  Report a problem with these data
Cell Reactant:
Farnesyl Diphosphate Synthase (FPPS)
Syringe Reactant:
BDBM12580
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
12/13/06
ΔG°:
-36.2406±n/a (kJ/mole)
pH:
8.5±n/a
Temperature:
300±n/a (K)
ΔHobs :
30.8066±n/a (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
0.2251±n/a (kJ/mole-K)
Comments:
IC50=2.5 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:
BDBM12580
Synonyms:
1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoethyl)-3-iodopyridin-1-ium | Bisphosphonate 5
Type:
Small organic molecule
Emp. Form.:
C7H10INO7P2
Mol. Mass.:
409.0088
SMILES:
OC(C[n+]1cccc(I)c1)(P(O)(O)=O)P(O)([O-])=O
Structure:
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