Table 1.
BCP (CID: 5281515) in silico interaction with human cyclin-dependent kinase-6 (inhibitor of CDKN1A).
| Protein Receptor | Ligand | Grid Box | Binding Affinity | Interaction Residues | Bond Distance | Interaction Category | Pi Sigma | Alkyl |
|---|---|---|---|---|---|---|---|---|
| CDK6 (4EZ5) | Beta-Caryophyllene (CID-No- 5281515) |
52.517 | −7.8 | VAL 27 PHE 98 ILE 19 LEU152 ALA162 |
4.94 3.88 5.45 5.13 4.09 |
Hydrophobic Hydrophobic Hydrophobic Hydrophobic Hydrophobic |
PHE 98 | VAL 27 ILE 19 LEU 152 ALA 162 |