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. 2021 Jul 16;19:104. doi: 10.1186/s43141-021-00206-2

Table 4.

Binding affinities and interactions of top ten ligands against nsp15

Target Cpd Binding affinity (kcal/mol) Hydrogen bonds Other interactions
nsp15 15 − 8.6 Met243 Met243, Tyr262, Glu258, His362, Ala256
4 − 8.5 None Lys281, Glu285, Tyr262, Met243
1 − 8.4 Gly254 Met243, Ala256, Glu258
25 − 8.1 Phe265, Ser266 Lys281, Ser266, Ala256
23 − 8 None Glu258, Ala256, Gly263, Asp264, Phe265
26 − 7.8 Glu285, Glu364 Ala256, Ser266, Met243, Lys281, Glu285
12 − 7.7 Glu285 Ala256, Met243, Tyr262, Lys281
14 − 7.7 Arg282 Glu285, Lys281, Phe265
13 − 7.3 Gly263, Asp264 Ala256, His259, Asp264, Met243, Glu285
17 − 7.3 Glu258 None