| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | sx0 | Crystal structure of Dot1l in complex with a brominated SAH analog | 3sx0 | 98.92 |
| 2 | ep4 | Crystal structure of DOT1L in complex with EPZ000004 | 4ek9 | 92.47 |
| 3 | aw0 | Crystal structure of human DOT1L in complex with inhibitor FED2 | 4eqz | 92.41 |
| 4 | 5f6 | Crystal structure of Dot1L in complex with inhibitor CPD3 [(2,6-dichlorophenyl)(quinolin-6-yl)methanone] | 5dtq | 91.9 |
| 5 | 0qj | Crystal Structure of DOT1L in Complex with EPZ003696 | 4ekg | 90.46 |
| 6 | 0qk | Crystal Structure of DOT1L in complex with EPZ004777 | 4eki | 90.35 |
| 7 | 5ek | Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide] | 5dry | 89.5 |
| 8 | 0qk | Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 | 4er3 | 87.03 |
| 9 | 5eg | Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide] | 5drt | 85.64 |
| 10 | 5id | Crystal structure of Dot1l in complex with 5-iodotubercidin | 3uwp | 84.66 |
| 11 | aw1 | Crystal Structure of human DOT1L in complex with inhibitor FED1 | 4er0 | 83.59 |
| 12 | aw3 | Crystal Structure of human DOT1L in complex with inhibitor SGC0947 | 4er7 | 81.68 |
| 13 | adn | Crystal structure of Dot1L in complex with adenosine and inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine] | 5mvs | 77.43 |