Extended Data Fig. 7: Docking poses of different SARS-CoV-2 Mpro inhibitors.
From: Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
a, The crystal structure of the SARS-CoV-2 Mpro–N3 complex. b–d, The docking results of three drug leads. Mpro is shown as grey background, and inhibitors are shown in different colours. The inhibitors identified through the high-throughput screening are likely to occupy the same pocket as N3. e, Predicted binding affinities for the drug leads to SARS-CoV-2 Mpro by using the MM-GBSA module, integrated in Schrödinger.
