Figure 4.
Structure of SARS-CoV-2 Mpro in complex with compound 4a. (A) Biochemical inhibition of SARS-CoV-2 Mpro by WNN2048-F004. (B) Anti-SARS-CoV-2 infection activity of WNN2048-F004 at different concentrations (0.3, 3.3, 10, and 100 µmol/L). (C) The binding modes of compound 4a and known representative inhibitors with SARS-CoV-2 Mpro showed by superimposing all the crystal structures of inhibitor-bound SARS-CoV-2 Mpro (PDB codes: 5R84, 6LU7, 6LZE, 6M2N, 6XBH, 6XHM, 6XQT, 6Y2G, 7BQY, 7BRP, 7C7P, 7D1O, 7JPZ, and 7L0D). The compound 4a is shown in yellow spheres. The other inhibitors are shown in gray sticks. (D) The binding pocket of compound 4a. The key residues are shown in sticks and compound 4a is shown in yellow sticks.