| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | i3k | Crystal structure of the R1275Q anaplastic lymphoma kinase catalytic domain in complex with a benzoxazole inhibitor | 4fny | 91.78 |
| 2 | 6yl | Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide | 5kz0 | 82.58 |
| 3 | 5p8 | Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | 5aa8 | 82.14 |
| 4 | nzf | Crystal structure of human anaplastic lymphoma kinase in complex with piperidine-carboxamide inhibitor 2 | 4fnz | 81.78 |
| 5 | 5p8 | Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | 5a9u | 81.23 |
| 6 | 0jf | Crystal structure of human anaplastic lymphoma kinase in complex with a piperidine-carboxamide inhibitor | 4dce | 80.3 |
| 7 | 5p8 | Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | 5aa9 | 79.81 |
| 8 | 5p8 | Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | 4clj | 79.7 |
| 9 | j99 | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one | 4ctc | 79.3 |
| 10 | iv7 | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor (10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro- 1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecin-15(10H)-one | 4cmu | 79.22 |
| 11 | 5p8 | Structure of the Human Anaplastic Lymphoma Kinase in Complex with PF- 06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16, 17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | 4cli | 79.02 |
| 12 | ypw | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 2-((1R)-1-((3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl) oxy)ethyl)-4-fluoro-N-methylbenzamide | 4cmo | 78.73 |
| 13 | 729 | Crystal Structure of Anaplastic Lymphoma Kinase (ALK) in complex with 5a | 5iug | 78.73 |
| 14 | awj | Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol | 4cd0 | 78.64 |
| 15 | 45q | Crystal Structure of Anaplastic Lyphoma Kinase (ALK) in complex with 4 | 5iui | 77.52 |
| 16 | j3y | hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone | 6ebw | 76.7 |
| 17 | 34y | Crystal Structure of the Anaplastic Lymphoma Kinase (ALK) in complex with 5d | 5iuh | 76.55 |
| 18 | 4mk | Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378 | 4mkc | 76.46 |
| 19 | 3u9 | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 3-((1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy)-5-(1-methyl-1H- 1,2,3-triazol-5-yl)pyridin-2-amine | 4cnh | 75.53 |
| 20 | ymx | Crystal structure of the ALK kinase domain in complex with Entrectinib | 5fto | 75.11 |
| 21 | 4lo | Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378 | 4z55 | 74.89 |
| 22 | hkj | hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine | 6e0r | 74.88 |
| 23 | vgh | Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | 5aab | 74.7 |
| 24 | 0us | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1 | 4fob | 73.56 |
| 25 | vgh | Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | 5aaa | 73.41 |
| 26 | vgh | Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | 5aac | 72.89 |
| 27 | cz4 | Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine | 5imx | 72.74 |
| 28 | u4w | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | 5ftq | 72.55 |
| 29 | vgh | Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | 4ans | 72.04 |
| 30 | vgh | Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | 4anq | 71.58 |
| 31 | vgh | Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066) | 2xp2 | 71.2 |
| 32 | vgh | Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | 2yfx | 70.84 |
| 33 | 0uu | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2 | 4foc | 69.27 |
| 34 | 571 | Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429 | 2xba | 67.07 |
| 35 | 0uv | Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36 | 4fod | 66.93 |