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Compounds identified using ROCS shape-based virtual screening
| Compd | R1 | R2 | Ring | n | IC50 (μM) | Kd (μM) | Activation of viral infectivity |
|---|---|---|---|---|---|---|---|
| 49 | Cl | F |  |
5 | 38.5 ± 10.1 | 0.6 | 2.6 ± 0.4 |
| 50 | Cl | F |  |
3 | 75.5 ± 23.3 | 1.6 | 0.2 ± 0.2 |
| 51 | Cl | F |  |
1 | 27.6 ± 7.2 | 3.2 | 0.0 |
| 52 | Cl | F |  |
1 | >100 | ND | 0.0 |
| 53 | Cl | F |  |
1 | >100 | ND | 0.1 |
| 54 | Cl | F |  |
1 | 76.6 ± 5.7 | 2.6 | 1.5 |
