dimethylallyl diphosphate

Ligand id: 3049

Name: dimethylallyl diphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 141.4
Molecular weight 242.98
XLogP -1.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Natural/Endogenous Targets
mevalonate kinase
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
farnesyl diphosphate synthase 2
isopentenyl-diphosphate Δ-isomerase 2
isopentenyl-diphosphate Δ-isomerase 1
geranylgeranyl 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 Competitive 4.7 pKi - 1
pKi 4.7 (Ki 2x10-5 M) [1]
Description: recombinant enzyme expressed in E coli cells. Spectrophotometric assay
Conditions: pH 7.0, 25°C. Saturating concentrations of substrates, 0.16-5mM ATP