Table 7 Hits retrieved from the virtual screening alongside their minimized affinity values
No | Hit name in database | Structure | Minimized affinity (kcal/mol) |
|---|---|---|---|
3CLPro | |||
 M1 | CHEMBL253085471 PubChem-76327933 |
| − 8.62 |
 M2 | CHEMBL25609538 PubChem-46876171 |
| − 8.09 |
 M3 | MCULE-4083440218 |
| − 8.37 |
 M4 | MolPort-044–566-517 MCULE-5384906049 |
| − 8.05 |
RdRp | |||
 N1 | CHEMBL25149284 PubChem-44364935 |
| − 8.25 |
 N2 | CHEMBL254636989 PubChem-136375410 PubChem-136375449 |
| − 8.22 |
 N3 | CHEMBL25289639 PubChem-10644984 |
| − 8.22 |
 N4 | MCULE-7755982919 CSC057656310 PubChem-120203617 |
| − 8.13 |
 N5 | MCULE-3802558326 |
| − 8.12 |
 N6 | MCULE-1230725924 CSC057726018 PubChem-137030145 |
| − 8.1 |
 N7 | MCULE-2082745487 |
| − 8.07 |
 N8 | MCULE-7352972814 |
| − 8.03 |
 N9 | MolPort-051-456-150 |
| − 8.42 |
 N10 | MolPort-051-445-187 |
| − 8.14 |
 N11 | ZINC000005488750 5488750 |
| − 8.55 |
