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| Name and structure of the ligand | Target proteins with PDB ID | XP GScore | MMGBSA ΔG Binding energies in kCal/mol |
|---|---|---|---|
| 1. 3,6,9,12-tetraoxatetradecane-1,14-diyl dibenzoate (TTDB) | ERK 1 (4QTB) | -10.112 | -71.103 |
| EGFR/HER2 (1XKK) | -8.6272 | -65.22 | |
| 2. Succinic acid, 2-(dimethylamino) ethyl 4-isopropylphenyl ester (SADPE) | ER (2IOG) | -8.84 | -45.94 |
