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Binding of ligands to 3CLpro, the interaction between amino acid in the binding site of 3CLpro and (a) X77 (b) compound 21 (c) compound 22 (d) compound 23. Green dotted line represents hydrogen bond, faint green dotted line represents a carbon-hydrogen bond, the deep pink dotted line represents π-π stacking, the faint pink dotted line represents π-alkyl interaction, the purple dotted line represents π-sigma interaction, the red dotted line represents donor-donor interaction.
