| Index | Ligand Name | Structure | PDB code | Compound Potency nM |
| 1 | sz6 | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | 4v25 | 84 |
| 2 | p35 | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 | 5j71 | 110 |
| 3 | pft | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7 | 4mp7 | 1827 |
| 4 | 7f9 | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | 5m4k | 2170 |
| 5 | pv1 | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1 | 4mp2 | 3570 |