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. 2020 Oct 23:1–8. doi: 10.1080/07391102.2020.1835732

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Figure 1. — Crystal structure of 3-chymotrypsin-like protease (3CL^pro) of SARS-CoV-2 (PDB ID: 6Y2E) and ligands docked with 3CL^pro and its contact sites with HIS⁴¹, CYS¹⁴⁵ and GLU¹⁶⁶. (a) Remdesivir; (b) linagliptin; (c) istradefylline; (d) dyphylline; (e) caffeine; (f) bromotheophylline; (g) pentoxifylline; (h) theophylline. Hydrocarbon skeleton cyan, nitrogen atoms are blue, oxygens red.