| 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. |
-0.17 |
-1.54 |
74.43 |
1. |
-0.22 |
-1.96 |
36.39 |
| 2. |
-0.15 |
-3.76 |
1.26 |
2. |
-0.27 |
-6.68 |
12.64 μM |
| 3. |
-0.27 |
-2.47 |
15.39 |
3. |
-0.31 |
-2.76 |
9.54 |
| 5. |
-0.09 |
-2.06 |
30.83 |
5. |
-0.30 |
-6.56 |
15.56 μM |
| 8. |
-0.23 |
-2.55 |
13.46 |
8. |
-0.40 |
-4.35 |
643.88 μM |
| 9. |
-0.25 |
-3.95 |
1.28 |
9. |
-0.35 |
-5.54 |
87.02 μM |
| 10. |
-0.12 |
-1.05 |
93.23 |
10.** |
-0.47 |
-8.31 |
817.12 μM |
| 11. |
-0.20 |
-2.39 |
17.79 |
11. |
-0.29 |
-3.48 |
2.79 |
| 12. |
-0.07 |
-0.97 |
114.83 |
12. |
-0.17 |
-3.82 |
1.54 |
| 14. |
-0.13 |
-0.56 |
99.78 |
14. |
-0.15 |
-3.13 |
6.43 |
| 15. |
-0.28 |
-4.43 |
564.79 μM |
15. |
-0.35 |
-5.54 |
87.34 μM |
| 16. |
-0.04 |
-1.17 |
138.41 |
16. |
-0.24 |
-6.72 |
11.79 μM |
| 18. |
-0.04 |
-0.82 |
249.23 |
18. |
-0.24 |
-4.78 |
315.78 μM |
| 19.* |
-0.48 |
-4.46 |
637.57 μM |
19. |
-0.43 |
-6.42 |
19.83 μM |
| 21. |
-0.10 |
-0.71 |
143.65 |
21. |
-0.19 |
-7.6 |
2.7 μM |
*,** Similar Results |
