Table 2.

The energy contribution of the various energetic terms (Van der Waals energy, electrostatic energy, polar solvation energy, and non-polar solvation energy/solvent-accessible surface area (SASA)) to the total binding energy during the binding of imatinib and compound 14 with c-KIT and PDGFRα.

Complexes	Van der Waals (kJ/Mol)	Electrostatics (kJ/Mol)	Polar Solvation (kJ/Mol)	SASA (kJ/Mol)	Total Binding Energy (kJ/Mol)
Imatinib–c-KIT	−260	−74	257	−28	−105
Imatinib–PDGFRα	−244	−58	225	−27	−104
Compound 14–c-KIT	−257	−57	219	−25	−120
Compound 14–PDGFRα	−251	−55	213	−25	−118
Compound 31–c-KIT	−183	−48	185	−19	−65
Compound 31–PDGFRα	−180	−50	163	−18	−85
Imatinib–c-KIT/I670	−227	−48	228	−26	−73
Imatinib–PDGFRα/I674	−248	−18	227	−28	−67
Compound 14–c-KIT/I670	−250	−61	205	−25	−131
Compound 14–PDGFRα/I674	−265	−39	203	−25	−126