Figure 5(a): Redocked conformer of ligand irressa in active site of the protein EGFR (PDB ID 2ITY). 5(b). 2D representation of ligand irreessa. 6(a). Active site of the protein EGFR (PDB ID 2ITY) of molecular model compound 79. 6(b). Schematic 2D representation of interactions of compound 79 with protein EGFR in binding pocket. Active site amino acid residues are represented as tubes, while the inhibitor is shown as ball and stick model with the atoms colored as carbon: green, hydrogen: cyan, nitrogen: blue, oxygen: red. Hydrogen bond interactions are represented by yellow dotted lines.Pose view: black dashed lines - hydrogen bonds, salt
bridges, metal interactions; green solid lines - hydrophobic interactions; green dashed lines - Pi-Pi, Pi-cation interaction