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. 2020 Oct 17;1228:129454. doi: 10.1016/j.molstruc.2020.129454

Table 6.

The binding interactions of L1H, L2H, and L3H to 3-chymotrypsin-like protease of SARS-CoV-2.

Pharmaceutical name Score (kcal/mol) RMSD Hydrogen bond (distance) Van der Waal's (distance)
L1H -6.6 27.120 – 29.360 Glu166 (2.275 Å) His41 (3.664 Å/ 3.777 Å).
Cys145 (3.470 Å/ 3.490 Å).
Glu166 (14 side contacts, distance range: 2.275 Å to 3.826Å).
L2H -7.6 28.639 – 31.280 - His41 (5 side contacts, distance range 3.464 Å to 3.785 Å).
Cys145 (3.707 Å)
Glu166 (6 side contacts, distance range 3.440 Å to 3.780 Å).
L3H -7.6 1.524 - 6.174 - His41 (4 side contacts, distance range 3.624 Å to 3.826 Å).
Cys145 (3.779 Å)
Glu166 (4 side contacts, distance range 3.390 Å to 3.955 Å).