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Binding energies of compounds 3, 22, 27, 28, Amgen 5o and Valeant 6 in their ionized state within each of the allosteric pockets of NS5B
 | ||||
|---|---|---|---|---|
| Compounds | XP-GlideScore (kcal/mol) |
IC50 (μM) | ||
| AP-1 | AP-2 | AP-3 | ||
| 3 | -6.00 | -5.92 | -5.46 | 55.2 |
| 22 | -5.50 | -4.79 | -3.70 | 10.6 |
| 27 | -5.29 | -5.18 | -8.00 | 8.4 |
| 28 | -5.14 | -4.66 | -6.37 | 7.7 |
| Amgen 5o | -3.80 | -3.30 | -4.79 | 0.2 |
| Valeant 6 | -3.49 | -7.54 | -7.10 | 3.0 |
