| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 59d | Crystal structure of human IDH1 in complex with GSK321A | 5de1 | 90.52 |
| 2 | dwg | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | 6bl1 | 77.38 |
| 3 | dwj | Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11 | 6bl0 | 76.43 |
| 4 | dwp | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1 | 6bkx | 76.25 |
| 5 | dws | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15 | 6bl2 | 75.14 |
| 6 | 6n3 | Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a) | 5l57 | 75.05 |
| 7 | 70q | IDH1 R132H in complex with IDH146 | 5sun | 71.87 |