| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | dfn | Glycogen synthase kinase-3 beta in complex with 3-indolyl-4-arylmaleimide inhibitor | 1r0e | 92.13 |
| 2 | 679 | GSK-3 Beta complexed with Inhibitor I-5 | 1q4l | 90.2 |
| 3 | z92 | 3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3 | 3l1s | 89.55 |
| 4 | brw | GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME | 1uv5 | 88.63 |
| 5 | 3uo | Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | 5f94 | 86.98 |
| 6 | 3up | Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | 5f95 | 86.85 |
| 7 | f1b | Crystal Structure of Glycogen Synthase Kinase-3 beta in Complex with BI-91BS | 6gjo | 86.44 |
| 8 | 2wg | Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | 4ptg | 85.94 |
| 9 | 6qh | Crystal structure of GSK-3beta complexed with PF-04802367, a highly selective brain-penetrant kinase inhibitor | 5k5n | 85.82 |
| 10 | fkb | Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor | 6h0u | 85.81 |
| 11 | z48 | Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | 3i4b | 85.68 |
| 12 | 2wf | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | 4pte | 85.33 |
| 13 | g8e | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | 6hk4 | 85.25 |
| 14 | sjj | 5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors | 4afj | 84.43 |
| 15 | 2we | Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | 4ptc | 84.27 |
| 16 | 553 | Crystal structure of GSK-3 beta in complex with NMS-869553A | 3du8 | 83.64 |
| 17 | 0kd | Crystal Structure of GSK3beta in complex with a Imidazopyridine inhibitor | 4dit | 81.59 |
| 18 | 65a | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | 5hlp | 81.54 |
| 19 | 65c | Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor | 6b8j | 81.39 |
| 20 | g8b | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | 6hk3 | 80.45 |
| 21 | 6vl | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | 5kpl | 79.91 |
| 22 | 6vl | Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | 5t31 | 79.7 |
| 23 | 6vm | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | 5kpm | 78.98 |
| 24 | 55e | 6-Amino-4-(pyrimidin-4-yl)pyridones: Novel Glycogen Synthase Kinase-3 Inhibitors | 3q3b | 78.42 |
| 25 | 6lq | GSK3b in complex with inhibitor | 4acg | 77.54 |
| 26 | gr9 | GSK3b in complex with inhibitor | 4acd | 76.03 |
| 27 | tmu | crystal structure of Glycogen synthase kinase 3 in complexed with inhibitor | 1q5k | 74.71 |
| 28 | zrm | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors | 3zrm | 74.59 |
| 29 | kdi | GSK3b in complex with inhibitor | 4ach | 71.22 |
| 30 | 7yg | GSK3b in complex with inhibitor | 4acc | 70.82 |