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(A) EXP3174 incorporated in a cavity of Mpro of SARS-CoV-2 (PDB entry code: 6LU7), using crystallographic grid. (B) EXP3174 incorporated in a cavity of S-protein RBD (PDB entry code: 6LZG), of SARS-CoV-2 using crystallographic grid. (C) Depiction of the various protein-ligand interactions, according to PLIP.
