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Docking scores and interaction residues for the binding mode of iso-mukaadial acetate and ursolic acid acetate ligands with the 2VFA receptor.
| Complex | Docking Scores | pIC50 | ΔGbind | Residue Involved H-bond |
|---|---|---|---|---|
| Iso-mukaadial acetate-2VFA | −4.10 | 5.35 | −26.73 | ARG80, ASP213 |
| Ursolic acid acetate-2VFA | −2.96 | 4.19 | −44.46 | LYS138 |
