Table 2 The structures generated through ChemDraw and binding scores of the best predicted compounds along with their Zinc-ID against each protein target
Binding score | |||||
|---|---|---|---|---|---|
Zinc_ID | Structure | 4EY7 | 2HM1 | 2Z5X | 1PBQ |
Control | − 11.9 | − 9.1 | − 7.5 | − 8.7 | |
ZINC000043014847 |
| − 10.3 | − 8.4 | − 8.3 | − 8.6 |
ZINC000002010548 |
| − 10.3 | − 8.7 | − 10.1 | − 8.3 |
ZINC000000593414 |
| − 10.8 | − 7.3 | − 8.2 | − 8 |
ZINC000000390492 |
| − 10.1 | − 7.9 | − 10.5 | − 7.9 |
