| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 242 | crystal structure of aminoquinazoline 1 bound to Lck | 2ofv | 95.63 |
| 2 | odj | Tyrosine-protein kinase LCK bound to Compound 11 | 6pdj | 89.6 |
| 3 | sti | LCK bound to imatinib | 2pl0 | 86.26 |
| 4 | pp2 | STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS | 1qpe | 85.21 |
| 5 | ksf | Crystal structure of imidazo pyrazin 1 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 2zm1 | 84.69 |
| 6 | ksl | Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 2zyb | 83.83 |
| 7 | 1n8 | crystal structure of aminoquinazoline 36 bound to Lck | 2og8 | 81.33 |
| 8 | am5 | co-crystal structure of Lck and aminopyrimidine amide 10b | 3bys | 81.23 |
| 9 | ksm | Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394) | 2zm4 | 77.79 |
| 10 | ksk | Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 3ac8 | 77.52 |
| 11 | 5lk | LCK complexed with a pyrazolopyrimidine | 3mpm | 76.05 |
| 12 | kzm | Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 3ac5 | 75.31 |
| 13 | am0 | X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck | 3bym | 74.96 |
| 14 | 547 | crystal structure of furanopyrimidine 8 bound to lck | 2of2 | 71.29 |
| 15 | 925 | The complex crystal structure of LCK with a probe molecule w259 | 3kxz | 70.94 |
| 16 | am9 | X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck | 3byo | 68.19 |
| 17 | 979 | crystal structure of furanopyrimidine 1 bound to lck | 2of4 | 67.32 |
| 18 | lhl | Structure of human LCK kinase with a small molecule inhibitor | 3kmm | 65.31 |
| 19 | kzi | Crystal structure of pyrazin derivative bound to the kinase domain of Human LCK, (Auto-phosphorylated on TYR394) | 3ac1 | 63.81 |
| 20 | kse | Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 3ac2 | 62.59 |
| 21 | ksc | Crystal structure of Pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 3ad6 | 60.56 |
| 22 | ksh | Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 3ac3 | 58.36 |
| 23 | kzl | Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394) | 3ac4 | 57.82 |