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. Author manuscript; available in PMC: 2024 Mar 11.
Published in final edited form as: J Med Chem. 2021 May 18;64(10):6949–6971. doi: 10.1021/acs.jmedchem.1c00491

Table 2.

GBVI/WSA dG Docking Scores for Indicated Molecules and HDAC Isoenzymes

ID HDAC4o HDAC8 ID HDAC4o HDAC8
7a −8.7 −9.0 7n −9.2 −9.6
7b −8.7 −8.8 7o −9.7 −9.8
7c −9.1 −9.8 7p −9.0 −10.2
7d −9.3 −10.3 7q −10.3 −9.9
7e −8.9 −10.0 7r −9.9 −10.2
7f −9.1 −9.9 7s −8.2 −10.7
7g −10.3 −9.9 7t −9.5 −10.5
7h −9.1 −9.8 7u −8.5 −10.0
7i −9.4 −9.7 7v −8.9 −10.2
7j −10.5 −10.1 7w −9.6 −10.2
7k −9.0 −9.8 7x −9.6 −10.3
7l −9.4 −10.2 7y −10.5 −11.2
7m −9.2 −9.1 3k −8.7 −9.5*