Fig. 6 | Scientific Reports

Fig. 6

From: Radiolabeling and evaluation of 64+67Cu-2,2’-(1,2,4-Oxadiazole-3,5-diyl)di aniline as a theranostic agent for solid tumors

Fig. 6

Interaction of 2,2'-(1,2,4-oxadiazole-3,5-diyl) di aniline with EGFR (PDB ID: 1M17). (A) 2D interaction diagram showing dianiline (magenta) compared with the co-crystallized ligand erlotinib (green), with docking scores of −12.525 for dianiline and −12.309 for erlotinib (RMSD = 1.93). (B) 2D bond-length map of the co-crystallized ligand erlotinib with selected residues, including Val (4.15 Å), Asp (2.14 Å), and Lys (3.98 Å). (C) 3D docking pose of 2,2'-(1,2,4-oxadiazole-3,5-diyl) di aniline within the EGFR binding pocket.

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