Table 6 The interactions of the designed compounds in the active site of the EGFR receptor

1

−10

ASP855, MET790,

LYS745, LYS745,

ASP855 & PHE723

2.91264, 2.46131,

2.6733, 2.46143,

3.29523 & 2.58927

ASP855, LEU718 (3), MET790, PHE723, LEU792, ALA743 & LEU844 (2)

2

−10

ASP855, MET790,

LYS745, ASP855 & PHE723

2.81294, 2.45287,

2.74079, 3.36729 &

2.75797

ASP855, LEU844 (3), MET790,

PHE723, LEU718 (4), LEU792, CYS797 & ALA743 (2)

3

−10.2

ASP855, MET790,

LYS745, LYS745,

ASP855 & PHE723

2.9622, 2.49526,

2.61911, 2.38759,

3.24379 & 2.57647

ASP855, LEU844 (2), MET790, PHE723, LEU718 (3), LEU792,

CYS797 & ALA743 (2)

4

−9.9

ASP855, THR854 & PHE723

2.6829, 2.50494 &

3.54003

ASP855, LEU718, GLY796, PHE723, GLY857, ALA755, LEU747, ILE759, VAL726 & LEU858 (2)

5

−10.1

ASP855, MET790,

LYS745, LYS745,

ASP855 & PHE723

2.83123, 2.35804,

2.58025, 2.43397,

3.31176 & 2.70789

ASP855, LEU718 (3), MET790, PHE723, LEU792, ALA743 & LEU844 (2)

6

−10

MET790, LYS745, ASP855 & PHE723

2.45034, 2.68227,

3.3187 & 2.46677

ASP855, LEU718 (3), MET790, PHE723, LEU792, LEU858 (2), LYS875 (2), ALA743 & LEU844

AZD9291

−8.1

ASP855, ASP837 & GLY857

2.39196, 3.61636 &

3.55164

MET790, LEU718, VAL726 LEU844 (2) & ALA743 (2)