Table 2. Detailed information about the docking results from three different docking software.
| PDB ID | Compound Name | Docking Software | Halogen Bond Number | Halogen Bond Donors | Halogen Bond Acceptors | Halogen Bond Geometrical Parameters (Å/°) |
|---|---|---|---|---|---|---|
| 1UWJ | rafoxanide | D3DOCKxb | 2 | I | H574 | 3.36/144.7 |
| Cl | C532 | 3.22/169.1 | ||||
| AutoDock | 0 | — | — | — | ||
| Glide | 0 | — | — | — | ||
| closantel | D3DOCKxb | 2 | I | S602 | 3.28/160.3 | |
| I | L514 | 3.35/144.4 | ||||
| AutoDock | 0 | — | — | — | ||
| Glide | 0 | — | — | — | ||
| 3C4C | rafoxanide | D3DOCKxb | 2 | Cl | T508 | 3.11/161.9 |
| Cl | I527 | 3.16/175.8 | ||||
| AutoDock | 1 | Cl | T508 | 2.90/157.1 | ||
| Glide | 1 | I | C532 | 2.87/173.8 | ||
| closantel | D3DOCKxb | 0 | — | — | — | |
| AutoDock | 0 | — | — | — | ||
| Glide | 1 | I | A481 | 3.14/158.7 |
Detailed geometrical parameters were given for halogen bonding.