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. 2022 Aug 25;21(12):881–898. doi: 10.1038/s41573-022-00542-z

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Fig. 4 — The nitrile group of nirmatrelvir (shown in green) reacts with Cys145 of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (shown in light blue) to form a covalent thioimidate adduct. Extensive hydrogen-bond interactions (yellow dashed lines) occur throughout the pocket (PDB ID: 7RFW)¹⁰³.