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. 2023 Apr 18;14(5):591–598. doi: 10.1021/acsmedchemlett.2c00514

Figure 3.

Figure 3

(A) Cocrystal structure of 13 bound to EGFR-T790M/V948R (PDB 7ZYQ). Hinge binding and hydrogen bond with Asp855 side chain are highlighted in red, and ionic interaction with Asp800 side chain is highlighted in blue. The |2Fo–Fc| map is contoured at a rmsd of 1. The simulated annealing |FoFc| omit electron density map is shown in SI, Figure S1. (B) View of stapled interaction of the phenol ester with Lys745 and Met790. (C) Schematic hydrophobic interaction profile of 13 within EGFR-T790M/V948R.