Table 5.

Binding affinity, hydrophobic interactions, hydrogen bonds, and hydrogen bond distance of selected compounds to 3C-like protease.

Comp No	CHEMBL ID	Binding Affinity (kcal/mol)	Hydrophobic interaction	Hydrogen bonds	Hydrogen bond distance (Å)
S	X77	−10.1	His41, Cys44, Met49, Cys145	Gly143	2.11
21	CHEMBL194398	−10.3	Tyr239, Leu287	Tyr237	3.59
22	CHEMBL196635	−9.6	Val171, Ala193	Lys137, Thr199, Thr196, Asn238	3.00, 2.06, 2.11, 2.04
23	CHEMBL377150	−9.8	His41, Cys44, Met49 Arg118, Asp187	Tyr54, Thr24, Met49, Arg188, Asn119, Gly143	3.24 2.96 2.40, 2.16 2.19
31	CHEMBL208763	−9.5	Tyr237, Tyr239, Leu272, Leu287 Lys137	Asp197	3.33
40	CHEMBL210097	−9.5	Val171 Ala194, Leu287	Gly275, Leu272	2.01 2.19
42	CHEMBL212218	−9.2	Met49, Pro168	Thr25,	1.98
57	CHEMBL378342	−10.0	Pro108, Ile200, Val202, His246, Ile249	Glu240	2.32