trans,trans-farnesyl diphosphate

Ligand id: 3050

Name: trans,trans-farnesyl diphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 132.91
Molecular weight 382.13
XLogP 1.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Natural/Endogenous Targets
Target
mevalonate kinase
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
squalene synthase 5,7
geranylgeranyl diphosphate synthase 3-4
farnesyl diphosphate synthase
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
mevalonate kinase Hs Inhibitor Feedback inhibition 7.0 – 7.5 pKi - 1-2
pKi 7.5 (Ki 3.4x10-8 M) [1]
Description: recombinant wild type enzyme expressed in E coli, in vitro spectrophotometric assay
Conditions: 30°C, pH 7.5; 0.5-11µM (R,S)-mevalonic acid, 6mM ATP
pKi 7.0 (Ki 1.01x10-7 M) [2]
Description: recombinant enzyme expressed in E coli cells. Spectrophotometric assay
Conditions: pH 7.0, 25°C. Concentration of mevalonate fixed and saturating; ATP varied between 0.16-5mM
mevalonate kinase Rn Inhibitor Feedback inhibition 5.6 – 6.5 pKi - 6,8
pKi 6.5 (Ki 3.48x10-7 M) [8]
Description: spectrophotometric in vitro assay
Conditions: Substrate concentrations: ATP concentration varied from 0.02-5mM, mevalonate concentration vaired from 0.02 to 0.6mM
pKi 5.6 (Ki 2.5x10-6 M) [6]
Description: in vitro, spectrophotometric assay
Conditions: pH 7.0, 25°C. Concentration of FPP varied (2µM and 6µM). MgATP2- concentration varied between 0.2-2mM.