| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 8me | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0355 | 4gv0 | 88.59 |
| 2 | 5me | Human ARTD3 (PARP3) - Catalytic domain in complex with inhibitor ME0354 | 4gv2 | 87.6 |
| 3 | 1vb | Human artd3 (parp3) - catalytic domain in complex with inhibitor STO1542 | 4l7n | 84.98 |
| 4 | 1vc | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0398 | 4l7u | 84.34 |
| 5 | ku8 | Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948 | 3c49 | 81.5 |
| 6 | m00 | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400 | 4l7r | 80.83 |
| 7 | 1va | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0368 | 4l7l | 80.38 |
| 8 | m95 | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0395 | 4l7p | 75.52 |