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. 2022 May 13;238:114458. doi: 10.1016/j.ejmech.2022.114458

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Fig. 6 — The protein-ligand complexes of SARS-CoV-2 3CL^Pro with 17i and 17x. (A) The structures and inhibitory activity of 17i and 17x. (B) The overall structure of 17i binding to the active pocket of the protease. (C) The protein-ligand complexes of the naphthyl group of 17i with the S4 pocket of SARS-CoV-2 3CL^Pro in detail. (D) The overall structure of 17x binding to the active pocket of the protease. (E) The protein-ligand complexes of the naphthyl group of 17x with the S4 pocket of SARS-CoV-2 3CL^Pro in detail. In the structure, the protease is presented as a white cartoon, and the significant residues and inhibitor are shown as sticks (the protease residues are in green and the inhibitor are in lime green and violet).