| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | k8y | Crystal structure of Tdp1 catalytic domain in complex with compound XZ577 | 6n17 | 72 |
| 2 | jta | Crystal structure of Tdp1 catalytic domain in complex with compound XZ519 | 6mj5 | 71.36 |
| 3 | gnv | Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 | 6djf | 71.35 |
| 4 | k8v | Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 | 6n19 | 70.99 |
| 5 | gnj | Crystal structure of Tdp1 catalytic domain in complex with compound XZ503 | 6djg | 70.44 |
| 6 | gny | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 | 6dje | 69.79 |