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Molecular docking. (A) The sequence of RBM (438–508). Previously identified critical ACE2-binding residues are shaded in yellow. (B) Superimposition of the ligands and docked conformation of compounds 1–3. Three-dimensional and two-dimensional docking models of compound 1 (C), compound 2 (D) and compound 3 (E) with SARS-CoV-2 (PDB: 6VSD) generated by Schrödinger Maestro chemical simulation software.
