Cell Reactant:
Farnesyl Diphosphate Synthase (FPPS)
Syringe Reactant:
BDBM12576
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
12/13/06
ΔG°:
-36.2824±n/a (kJ/mole)
pH:
8.5±n/a
Temperature:
300±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, FCao, RGoddard, AZhang, YOldfield, 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:
Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound 64 | RIS | Risdronate | US11279719, Example Risedronic acid RIS | [1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C7H11NO7P2
Mol. Mass.:
283.1123
SMILES:
OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: