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Rational design of covalent SARS-CoV-2 Mpro inhibitor Jun9-62-2R with improved target selectivity. (A) X-ray crystal structures of SARS-CoV-2 Mpro with Jun8-76-3R (PDB: 7KX5). (B) Covalent SARS-CoV-2 Mpro inhibitors with chloroacetamide, dihaloacetamide and trihaloacetamide warheads. (C) X-ray crystal structure of SARS-CoV-2 Mpro with dichloracetamide Jun9-62-2R (PDB: 7RN1). (D) Selectivity heat map of Jun9-62-2R and GC376 against host proteases.
