| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | gv5 | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 2 | 6hvi | 95.88 |
| 2 | bkv | human PFKFB3 in complex with a pyrrolopyrimidone compound | 4d4m | 95.56 |
| 3 | hak | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | 6ic0 | 95.3 |
| 4 | bki | human PFKFB3 in complex with a pyrrolopyrimidone compound | 4d4j | 93.88 |
| 5 | bww | HUMAN PFKFB3 IN COMPLEX WITH KAN0438241 | 6etj | 92.02 |
| 6 | gv8 | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | 6hvj | 91.99 |
| 7 | gv2 | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1 | 6hvh | 90.43 |
| 8 | hat | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 6 | 6iby | 89.24 |
| 9 | h9z | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | 6ibx | 88.28 |
| 10 | haw | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7 | 6ibz | 87 |
| 11 | 8v1 | Human PFKFB3 in complex with an indole inhibitor 6 | 5ak0 | 84.73 |
| 12 | fd9 | Human PFKFB3 in complex with an indole inhibitor 3 | 5ajx | 79.32 |