| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | hqm | Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with a BMS-978587 analog | 6e43 | 97.27 |
| 2 | c51 | IDO1/FXB-001116 crystal structure | 6azw | 95.83 |
| 3 | c4v | IDO1/BMS-978587 crystal structure | 6azv | 94.01 |
| 4 | xnl | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 5etw | 92.99 |
| 5 | 5pk | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 5ek3 | 92.01 |
| 6 | 5pf | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 5ek4 | 91.45 |
| 7 | 5pj | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | 5ek2 | 90.88 |
| 8 | lkp | Crystal Structure of Human IDO1 bound to navoximod (NLG-919) | 6o3i | 90.38 |
| 9 | hqs | CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and an Epacadostat analog | 6e41 | 89.66 |