Table 5.

Predicted binding features and docking scores for the top investigated compounds toward EGFR and BRAF^V600E.

Compound	EGFR		BRAFV600E
	Docking Scores (kcal/mol)	Binding Features	Docking Scores (kcal/mol)	Binding Features a
3a	−8.0	CYS773 (2.21 Å)	−8.4	LYS483 (2.15 Å), THR529 (2.38 Å), ASP594 (2.12 Å)
3c	−7.9	CYS773 (2.15 Å)	−7.8	LYS483 (2.13 Å) ASP594 (1.93 Å)
3d	−8.1	CYS773 (2.17 Å)	−8.5	LYS483 (1.93 Å), GLY596 (2.32 Å), THR529 (2.66 Å), ASP594 (2.14 Å)
3f	−8.5	CYS773 (2.18 Å)	−8.7	LYS483 (2.15 Å), THR529 (2.38 Å), ASP594 (2.12 Å)
Erlotinib	−8.6	MET769 (1.62 Å), CYS773 (1.91 Å)	−8.4	THR529 (2.07), CYS532 (2.02)

^a Only hydrogen bonds are presented in Å.