Table 1. Docking Score (kcal/mol) of the Top Scoring Poses (Protein–Ligand Complexes) for the Three Groups of Compounds.

	ligands
	group A		group B			group C
binding site	ATP	AMP-PNP	tariquidar	Hoechst 33342	doxorubicin	imatinib	nilotinib	nutlin-3a
NBD	–7.3	–7.9	–5.0	–2.9	–4.4	–3.1	–4.3	–4.1
TMD	–6.8	–6.4	–7.3	–6.3	–6.5	–6.3	–8.3	–7.6