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 |