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Binding energy and distance between SOM of MLT derivatives and Fe atom of heme of the representative pose.
| Compounds | ΔG (kcal/mol) | Distance between SOM (C6) and Fe (II) atom (Å) |
|---|---|---|
| MLT | –9.2 | 8.60 |
| 5-MT | –8.2 | 8.60 |
| 1 | –8.5 | 7.32 |
| 2 | –11.4 | 9.24 |
| 3 | –7.4 | 10.82 |
| 4 | –8.6 | 9.34 |
| 5 | –11.2 | 5.14 |
| Indomethacin | –7.6 | 11.49 |
