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. 2020 Oct 22:1–25. doi: 10.1080/07391102.2020.1835726

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)