Table 2.

Binding Energies and Interacting Residues of Derivatives Docked with AKT and BRAF

Protein (PDB ID)	Derivatives	Binding Energies	Interacting Residues
AKT (6HHF)	NPS1	−7.63	GLN79, VAL270, TRP80, LYS268, LEU264, ASP292, THR291, ILE290, THR211, LEU210, HIS207, ARG206, TYR263, SER205
	NPS2	−8.36	ILE290, LEU210, THR211, LEU264, THR291, ASP292, TYR272, GLN79, THR81, ASN54, VAL270, LYS268, TYR263, THR82, TRP80
	NPS3	−8.53	HIS207, ARG206, THR211, LEU210, SER205, ALA212, VAL270, TRP80, MET227, ASN53, TRP80, LYS268, LEU213, LEU 264, TYR272, ASP292, ILE290
	NPS4	−9.64	LEU210, MET227, THR211, LEU213, ARG206, ALA212, HIS207, SER205, TYR263, TRP80, LYS268, VAL270, LEU264, ASP292, TYR272, ILE290, THR291
	NPS5	−7.48	VAL270, LYS268, LEU264, TYR272, LEU210, ASP292, ILE290, THR291, ARG206, HIS207, ALA212, LEU213, TRP80, THR211, MET227, GLN79
	NPS6	−8.10	LEU264, ILE290, THR291, LEU210, TYR272, ASP292, ARG206, ALA212, LEU213, THR211, MET227, TRP80, VAL270, LYS268
BRAF (8C7Y)	NPS1	−8.28	VAL482, LEU505, ILE527, PHE468, GLU501, LEU514, LYS483, THR529, ALA481, GLN530, PHE595, TRP531, CYS532, VAL471, ASP594, GLY596, LEU597
	NPS2	−9.54	ILE463, PHE468, VAL471, PHE595, ALA481, TRP531, GLN530, CYS532, THR529, GLU501, ILE527, LEU505, LYS483, ASP594, LEU597, GLY464, LEU514
	NPS3	−9.62	ILE527, GLU501, LEU505, LYS483, GLY593, LEU514, PHE468, PHE595, PHE583, TRP531, CYS532, GLN530, ALA481, GLY596, VAL471, THR529, LEU597, ASP594
	NPS4	−9.91	ILE527, THR529, LEU505, GLU501, GLN530, ALA481, LEU514, CYS532, TRP531, ILE463, PHE595, PHE468, GLY464, VAL471, LEU597, ASP594, LYS483
	NPS5	−7.13	LYS483, LEU597, GLY596, ASP594, PHE468, VAL471, ILE463, GLY464, PHE595, PHE583, TRP531, CYS532, GLN530, LEU514, THR529, ALA481, GLU501
	NPS6	−9.07	LEU597, GLY596, ASP594, VAL471, ILE463, TRP531, ALA481, PHE595, CYS532, GLN530, THR529, LEU514, ILE527, LYS483, PHE468