| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | nhb | Crystal structure of inhibited human HDAC8 | 1w22 | 91.85 |
| 2 | l6g | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | 4rn0 | 87.23 |
| 3 | l8g | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | 4rn1 | 86.94 |
| 4 | 1di | Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor | 3sfh | 85.44 |
| 5 | 0di | Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor | 3sff | 78.77 |
| 6 | l7g | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | 4rn2 | 77.4 |
| 7 | gok | Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat | 6hsk | 63.23 |