| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 580 | Crystal Structure of TGF-beta receptor I kinase with ATP site inhibitor | 1rw8 | 95.34 |
| 2 | d0a | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | 6b8y | 93.27 |
| 3 | 855 | Structure of Alk5 + GW855857 | 3hmm | 92.79 |
| 4 | qig | ALK-5 kinase complex with GW857175 | 3gxl | 91.79 |
| 5 | j2m | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide | 5qik | 90.45 |
| 6 | jzo | Crystal structure of TGFbRI complexed with a pyrazolone inhibitor | 3kcf | 90.19 |
| 7 | j2v | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE | 5qil | 89.89 |
| 8 | 3wn | Selection of fragments for kinase inhibitor design: decoration is key | 4x2j | 89.73 |
| 9 | 3wo | Selection of fragments for kinase inhibitor design: decoration is key | 4x2k | 89.73 |
| 10 | zuq | ALK5 in complex witha an N-(4-anilino-2-pyridyl)acetamide inhibitor. | 5fri | 87.4 |
| 11 | j2y | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE | 5qim | 85.5 |
| 12 | 3wk | Selection of fragments for kinase inhibitor design: decoration is key | 4x2g | 84.82 |
| 13 | zzg | ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine | 2wot | 83.46 |
| 14 | 8ly | ALK-5 kinase inhibitor complex | 5usq | 82.31 |
| 15 | 5l4 | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F) IN COMPLEX WITH 3-AMINO-6- [4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE | 5e90 | 81.04 |
| 16 | 5l4 | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 3-AMINO-6-[4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE | 5e8z | 79.7 |