The binding energy score of the target compounds during CDK-2 docking study.

Compound	CDK-2 (PDB: 3DDQ)
	Binding affinity (kcal mol−1)	Distance from main residue (in Å)		Interaction type
6d	−7.9959	1.98	Leu83	H-acceptor
		2.54	Lys33	Halogen bond
		2.49	Lys89	H-acceptor
		4.64	Ala144	Hydrophobic
		4.25	Val18	Hydrophobic
		4.61	Leu134	Hydrophobic
		4.19	Ile10	Hydrophobic
6m	−5.5006	2.46	Leu83	H-acceptor
		4.48	Leu134	Hydrophobic
		4.27	Ile10	Hydrophobic
		4.54	Val18	Hydrophobic
		4.61	Phe80	Hydrophobic
6o	−8.0611	2.15	Leu83	H-acceptor
		2.10	Lys33	Halogen bond
		3.35	Glu51	Halogen bond
		3.61	Leu134	Hydrophobic
		3.72	Ala144	Hydrophobic
		3.70	Val18	Hydrophobic
		3.17	Ile10	Hydrophobic
Roscovitine	−7.70482	2.23	Leu83	H-donor
		2.74	Glu12	H-donor
		4.24	Ala144	Hydrophobic
		4.01	Ala31	Hydrophobic
		4.44	Lys33	Hydrophobic
		3.79	Val64	Hydrophobic
		3.98	Val18	Hydrophobic