Reaction Details  Report a problem with these data
Cell Reactant:
Farnesyl Diphosphate Synthase (FPPS)
Syringe Reactant:
BDBM12578
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
12/13/06
ΔG°:
-9.05±n/a (kcal/mole)
pH:
8.5±n/a
Temperature:
300±n/a (K)
ΔHobs :
-4.76±n/a (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
0.01±n/a (kJ/mole-K)
Comments:
IC50=1 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:
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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