Table 3.

Docking results of ligands (SFN, TSA, and 5-Aza-dC) on receptors (HDAC1 and mDNMT3B).

Receptor	Ligand	Clusters within substrate binding cavity/total clusters	Cluster ranks	Total elements (out of 256)	FullFitness (kcal/mol)	Estimated ΔG  (kcal/mol)
HDAC1	SFN	6/41	0, 1, 2, 3, 16, 19	40	−2094.8	−7.9
mDNMT3B	SFN	31/49	0–8, 10, 12–16, 18, 21–27, 29–31, 33–34, 43, 45	174	−1914.2	−7.5
mDNMT3B	5-Aza-dC	15/43	0–1, 3–5, 7, 17, 19, 24, 34, 36–37, 39, 42, 43	73	−2071.4	−9.5