Table 3.

Interaction of SAHA standard ligand and first modified ligand with class II HDAC Homo sapiens.

Ligand	Docking interaction
	HDAC 4	HDAC 5	HDAC 6	HDAC 7	HDAC 9	HDAC 10
SAHA	Zn2+, Asp287, His155, His 195	Zn2+, Asp272, His 140	Zn2+, His32, His33, Tyr204	Zn2+, Asp191, His153, His154	Zn2+, Asp188, His22, His150, His151	Zn2+, Asp226, His95, His96, Phe163, Tyr266
1a	Zn2+, Asp287, His155, Pro295	Zn2+, Asp178, His140, His180	Zn2+, His32, His33, Tyr204	Zn2+, Asp191, Glu115, His153	Zn2+, Asp282, His150, His151	Zn2+, Asp133, His95, His96, Tyr266
1b	Zn2+, Asp193, His155, Pro295	Zn2+, Asp178, His140, His141, Pro280	Zn2+, Asp164, His32, His33, Tyr204	Zn2+, Ala160, Asp191, Glu115, His153, His154, Thr109	Zn2+, Asp105, Asp107, Asp188, His150, His151	Zn2+, Asn103, Asp133, His95, His96
1c	Zn2+, Asp193, His155, Leu296	Zn2+, Asp178, His140	Zn2+, His32, His33, Thr100, Tyr204	Zn2+, Asp191, Glu115, His153, His154, Thr109	Zn2+, Asp188, Asp282, His150, His151	Zn2+, Asp133, His95, His96, Tyr226
1d	Zn2+, Asp287, His155	Zn2+, Asp178, His140, Glu102	Zn2+, His32, Thr100, Tyr204	Zn2+, Asp285, Glu115, His154, Thr109	Zn2+, Asp188, His150, His151, Pro290	Zn2+, Asp133, His95, His96
1e	Zn2+, Asp193, His155, Pro295	Zn2+, Glu102, Gly149, His140	Zn2+, Asp164, His32, His33, Pro103, Tyr204	Zn2+, Ala160, Asp191, Glu115, His153, Thr109, Thr111	Zn2+, Asp105, His150, His151	Zn2+, His95, His96, Asp133
1f	Zn2+, Asp287, Gly328, His155, Pro295	Zn2+, Asp178, Gu102, His140	Zn2+, Asp164, His32, His33, Thr100, Tyr204	Zn2+, Asp110, Asp191, His153, His154, Thr109, Thr111	Zn2+, Asp188, His150	Zn2+, Asp133, His95, His96

* Bold is the catalytic sites.