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Binding modes of 7d (A/C/E), 9d (B/D/F) and 8d (G/H/I) with SARS-CoV-2 3CLpro. A/B/G) Fo-Fc omit map (green mesh) contoured at 3σ. C/D/H) Hydrogen bond interactions are indicated by dashed lines. Surface representations (E/F/I) showing the orientation of the aryl rings of the inhibitor in the S4 subsite of SARS2 3CLpro. Neighboring residues are colored yellow (nonpolar), cyan (polar), and white (weakly polar). PDB IDs: 7d (8E61), 8d (8E63), 9d (8E64).
