Table 6.
The binding profile of the ligand in the selected cluster.
| Receptor-ligand complex | Poses in Cluster | Best Pose | Binding site coordinate |
|---|---|---|---|
| Cryptospirolepine-6VSB | 62 | 1547 | 214.25, 205.16, 213.99 |
| Cryptospirolepine-5X5B | 89 | 1746 | 13.00, −7.77, −9.61 |
| 10 –Hydroxyusambarensine-5X5C | 87 | 338 | 34.87, −14.23, 0.60 |
| Cryptospirolepine-IR42 | 102 | 28 | 65.46, 70.54, 30.12 |
| Cryptospirolepine-2OQ5 | 92 | 132 | (–2.85, 27.80, 22.38) |