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. 2020 Nov 4;10(66):40244–40263. doi: 10.1039/d0ra08304f

Cooperativity between P3, P2, P1 and P1′ residues and downsizing of optimized SARS-CoV-2 Mpro α-ketoamide and ester inhibitor candidatesa.

Compound Formula: P3–P2–P1–P1′ ΔΔEint,MMa [kcal mol−1] M w b [g mol−1]
C25 graphic file with name d0ra08304f-u50.jpg −14.5 692.7
C29 graphic file with name d0ra08304f-u51.jpg −14.4 626.7
C30 graphic file with name d0ra08304f-u52.jpg −11.2 560.6
C31 graphic file with name d0ra08304f-u53.jpg −16.3 638.7
C32 graphic file with name d0ra08304f-u54.jpg −15.8 704.7
C33 graphic file with name d0ra08304f-u55.jpg −16.7 652.7
C34 graphic file with name d0ra08304f-u56.jpg −16.8 640.7
a

a,bSee the footnote of Table 1.