Fig. 3. 2D interactions of the best 2 hits, compounds 3b and 9e. (A) Binding of co-crystallized ligand (PRD_002214), 3b and 9e with Mpro (PDB ID. 6LU7). (B) Binding of co-crystallized ligand (SAM), 3b and 9e with the nsp10–nsp16 complex (PDB 6W4H). (C) Binding of 3b and 9e with the nucleocapsid phosphoprotein (PDB 6VYO). (D) Binding of 3b and 9e with the RBD/ACE2 complex (PDB 6M17).
