| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 32v | PDE7A catalytic domain in complex with 2-(Cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivative | 4pm0 | 86.36 |
| 2 | ibm | Multiple Determinants for Inhibitor Selectivity of Cyclic Nucleotide Phosphodiesterases | 1zkl | 82.71 |
| 3 | epk | Co-crystal structure of 3-ethyl-2-(isopropylamino)-7-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4(3H)-one bound to PDE7A | 4y2b | 81.24 |
| 4 | tc8 | PDE7A catalytic domain in complex with 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one | 3g3n | 76.02 |