Reaction Details  Report a problem with these data
Cell Reactant:
Farnesyl Diphosphate Synthase (FPPS)
Syringe Reactant:
BDBM12576
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
2006-12-13
ΔG°:
-36.2824±n/a (kJ/mole)
pH:
8.5000±n/a
Temperature:
300.0000±n/a (K)
ΔHobs :
-43.5138±n/a (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
-0.0242±n/a (kJ/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 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:
BDBM12576
Synonyms:
JMC515594 Compound 64 | Risdronate | CHEMBL923 | RIS | [1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid | Bisphosphonate 1 | US11279719, Example Risedronic acid RIS
Type:
Small organic molecule
Emp. Form.:
C7H11NO7P2
Mol. Mass.:
283.00
SMILES:
c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O
Structure:
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