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. 2021 Aug 14;4:100159. doi: 10.1016/j.crgsc.2021.100159

Table 2.

Top 12 ligands with best binding affinity with 3ClPro.

Ligand Compound ID Binding Affinity
Myricitrin 5352000 −9.6
Quercetin-3-O-glucuronide 12004528 −9.4
Kaempferol-3-O-glucuronide 5318759 −9.1
Astragalin 5282102 −9
Ellagic Acid-O-Arabinoside __ −9
Kaempferol-3-O-rutinoside 122173234 −9
Isocorilagin 10077799 −9
Furosin 10416810 −9
Trigalloylglucose 452707 −9
Phyllanthusiin B ___ −8.9
Ritonavir 392622 −7
Lopinavir 92727 −6.8