Skip to main content
. 2021 Aug 22;22(16):9057. doi: 10.3390/ijms22169057

Figure 3.

Figure 3

Enumerated structure design by PathFinder. (A) Proposed synthetic route for the synthesis of Compound 13. (B) R-group enumeration. (C) Ligand designer of Compound 13 with Mpro binding pocket. Light blue shows the cavity space and dark blue shows the solvent exposure workflow.