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Binding energy and interactions of potential two NSAIDs on BAD (PDB ID: 1G5J).
| Protein | Ligand | PubChem ID | Symbol | Binding energy (kcal/mol) | Hydrogen bond interactions | Hydrophobic interactions |
|---|---|---|---|---|---|---|
| Amino acid residue | Amino acid residue | |||||
| 1G5J | 6MNA | 32,176 | B1 | − 6.8 | Trp-173, His-181 | Arg-169, Tyr-124 |
| Phe-127, Tyr-177 | ||||||
| Thr-176 | ||||||
| Indomethacin | 3715 | B2 | − 7.1 | Asp-180 | Arg-169, Tyr-124 | |
| Phe-127, Val-131 | ||||||
| Glu-128, His-181 | ||||||
| Thr-176, Trp-173 |
