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Non-covalent Probes Binding to the Active Site of the 3CLpro
Above: co-crystal structure of probe ML188 bound to SARS-CoV (PDB: 3V3M). The homology and the 3D structural similarity of SARS-CoV (green graphic) and SARS-CoV-2 (pink graphic) 3CLpro are very high. Shown is a close up view into the ML188-binding site (cyan sticks). Shown on at the bottom is synthesis and some molecular, drug metabolism and pharmacokinetic (DMPK), and pharmacology data of the probes ML188 and ML300.
