Reaction Details  Report a problem with these data
Cell Reactant:
Farnesyl Diphosphate Synthase (FPPS)
Syringe Reactant:
BDBM12577
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
2006-12-13
ΔG°:
-35.0702±n/a (kJ/mole)
pH:
8.5000±n/a
Temperature:
300.0000±n/a (K)
ΔHobs :
12.1638±n/a (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
0.1585±n/a (kJ/mole-K)
Comments:
IC50=12 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:
BDBM12577
Synonyms:
{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid | JMC515594 Compound 53 | CHEMBL997 | Bisphosphonate 2
Type:
Small organic molecule
Emp. Form.:
C9H23NO7P2
Mol. Mass.:
319.09
SMILES:
CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O
Structure:
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