| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | f0q | Cyclophilin A complexed with tri-vector ligand 15. | 6gjn | 73.89 |
| 2 | f1q | Cyclophilin A complexed with tri-vector ligand 10. | 6gjl | 72.86 |
| 3 | f0w | Cyclophilin A complexed with tri-vector ligand 9. | 6gjr | 71.2 |
| 4 | l36 | Cyclophilin A complexed with tri-vector ligand 2. | 6gjj | 70.95 |
| 5 | l36 | Cyclophilin A complexed with tri-vector ligand 4. | 6gjm | 67.89 |
| 6 | f1z | Cyclophilin A complexed with tri-vector ligand 5. | 6gjy | 67.67 |
| 7 | f0t | Cyclophilin A complexed with tri-vector ligand 7. | 6gjp | 65.62 |
| 8 | f1e | Cyclophilin A complexed with the tri-vector ligand 8. | 6gji | 63.57 |
| 9 | 78e | Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A | 5t9w | 59.32 |