| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 34u | MST3 in complex with CP-673451 | 4qmq | 86.06 |
| 2 | h1n | MST3 in complex with HESPERADIN | 4qmt | 83.44 |
| 3 | ks1 | MST3 IN COMPLEX WITH PP-121, 1-CYCLOPENTYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | 4qmw | 82.93 |
| 4 | dki | MST3 IN COMPLEX WITH CDK1/2 INHIBITOR III, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | 4qmp | 81.73 |
| 5 | ske | MST3 IN COMPLEX WITH JNJ-7706621, 4-({5-AMINO-1-[(2,6-DIFLUOROPHENYL)CARBONYL]-1H-1,2,4-TRIAZOL-3-YL}AMINO)BENZENESULFONAMIDE | 4qmu | 78.25 |
| 6 | 1n1 | MST3 in complex with DASATINIB | 4qms | 77.71 |
| 7 | 627 | MST3 IN COMPLEX WITH Danusertib | 4qo9 | 77.28 |
| 8 | 35r | MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM | 4qmm | 76.81 |
| 9 | 34w | MST3 IN COMPLEX WITH PF-03814735, N-{2-[(1S,4R)-6-{[4-(CYCLOBUTYLAMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}-1,2,3,4-TETRAHYDRO-1,4-EPIMINONAPHTHALEN-9-YL]-2-OXOETHYL}ACETAMIDE | 4qmv | 75.42 |
| 10 | 3jb | Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342) | 4w8e | 75.06 |
| 11 | h8h | MST3 in complex with SARACATINIB | 4qmx | 74.75 |
| 12 | db8 | MST3 in complex with BOSUTINIB | 4qmn | 71.55 |
| 13 | b49 | MST3 IN COMPLEX WITH SUNITINIB | 4qmz | 68.62 |