| HHV-1 |
HHV-2 |
| Molecule No |
Ligand Efficiency |
Binding Affinity (kcal/mol) |
Inhibitory Constant mM |
Molecule No |
Ligand Efficiency |
Binding Affinity (kcal/mol) |
Inhibitory Constant mM |
| 1. |
-0.12 |
-1.12 |
151.26 |
1. |
-0.09 |
-1.08 |
357.89 |
| 2.* |
-0.31 |
-5.17 |
162.74 μM |
2. |
-0.12 |
-0.6 |
283.12 |
| 3. |
-0.14 |
-1.27 |
117.75 |
3. |
-0.25 |
-2.23 |
23.11 |
| 5. |
-0.09 |
-2.03 |
32.6 |
5. |
-0.19 |
-4.16 |
891.05 μM |
| 8. |
-0.24 |
-2.68 |
10.94 |
8. |
-0.34 |
-3.73 |
1.85 |
| 9. |
-0.11 |
-1.02 |
179.96 |
9. |
-0.29 |
-4.68 |
374.07 μM |
| 10. |
-0.13 |
-4.15 |
911.93 μM |
10. |
-0.18 |
-5.45 |
100.59 μM |
| 11. |
-0.19 |
-2.25 |
22.31 |
11. |
-0.22 |
-2.69 |
10.68 |
| 12. |
-0.07 |
-1.6 |
67.57 |
12. |
-0.11 |
-2.37 |
18.21 |
| 14. |
-0.26 |
-3.67 |
1.53 |
14.** |
-0.41 |
-6.31 |
23.85 μM |
| 15. |
-0.17 |
-2.79 |
8.97 |
15. |
-0.31 |
-4.9 |
255.87 μM |
| 16. |
-0.15 |
-4.17 |
874.94 μM |
16. |
-0.15 |
-4.27 |
740.21 μM |
| 18. |
-0.08 |
-1.53 |
76.18 |
18. |
-0.18 |
-3.67 |
2.03 |
| 19. |
-0.26 |
-3.88 |
1.42 |
19. |
-0.34 |
-5.17 |
161.72 μM |
| 21. |
-0.01 |
-0.36 |
545.97 |
21. |
-0.11 |
-4.27 |
743.19 μM |
*,** Similar Results |
