| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 1yz | Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide] | 4m12 | 99.68 |
| 2 | 1e0 | Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide] | 4m13 | 99.45 |
| 3 | m0z | Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide} | 4m0z | 99.24 |
| 4 | qws | Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP | 4m15 | 98.98 |
| 5 | 18r | Crystal structure of ITK in complex with compound 52 | 4hct | 87.69 |
| 6 | 13j | Crystal structure of ITK in complex with compound 53 | 4hcv | 84.72 |
| 7 | 13l | Crystal structure of ITK in complext with compound 40 | 4hcu | 84.58 |
| 8 | iaq | Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline | 3t9t | 82.99 |
| 9 | 2vu | ITK kinase domain with compound 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE) | 4ppa | 78.55 |
| 10 | g5k | Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor | 4kio | 78.41 |
| 11 | 2vt | ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE) | 4pp9 | 75.99 |
| 12 | mjg | X-ray crystal structure of ITK complexed with inhibitor BMS-509744 | 3mj2 | 71.94 |
| 13 | g7k | Kinase domain mutant of human Itk in complex with an aminobenzothiazole inhibitor | 4l7s | 71.27 |
| 14 | 2vv | ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE) | 4ppb | 70.8 |
| 15 | 2vw | ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE) | 4ppc | 70.36 |
| 16 | 0f2 | Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090 | 3v5j | 69.15 |
| 17 | 3p6 | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | 4rfm | 68.29 |
| 18 | b49 | X-ray crystal structure of ITK complexed with sunitinib | 3miy | 66.77 |
| 19 | 614 | X-ray crystal structure of ITK complexed with inhibitor RO5191614 | 3mj1 | 66.58 |
| 20 | 29y | ITK kinase domain in complex with benzothiazole inhibitor 12b (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H-PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE | 4mf1 | 65.21 |
| 21 | 2w6 | ITK kinase domain with compound GNE-9822 | 4pqn | 64.75 |