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. 2020 Sep 5;89:107372. doi: 10.1016/j.compbiolchem.2020.107372

Fig. 3.

Fig. 3

Blind docking of A) ritonavir, B) α-ketoamide 13b, and C) SRT1720 to the SARS-CoV-2 Mpro protease dimer. The binding affinities are stated, along with interaction diagrams depicting hydrogen bond formation. Proximity of the ligand to the active site is indicated by catalytic dyad residues His41 and Cys145, while proximity to the domain III dimerization apex is indicated by residue Ala285.