| Molecule | Docking Results | ||
| Affinity (Kcal/Mol) | Hydrogen Bond Donor | Hydrogen Acceptor | |
| CoA-S-scetyl tryptamine | −8.9 | 11 | 22 |
| 3-indoleacriloil-CoA | −8.9 | 10 | 22 |
| 3-indolepropionil-CoA | −8.5 | 10 | 22 |