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. 2022 Nov 30;27(23):8354. doi: 10.3390/molecules27238354

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