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. 2019 Sep 12;9:13187. doi: 10.1038/s41598-019-49784-9

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© The Author(s) 2019

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Docking pose of 9b in the binding site of HDAC1 (PDB code: 4BKX) and HDAC6 (PDB code: 5EF7). (A) Surface representation of HDAC1 and 9b complex. (B) Cartoon and sticks representation of HDAC1 and 9b complex. (C) Surface representation of HDAC6 and 9b complex. (D) Cartoon and sticks representation of HDAC6 and 9b complex. The carbon, oxygen, nitrogen, and sulfur atoms of 9b are shown in lime, red, blue, and yellow, respectively. The side chains of the binding site are colored according to the atom type (carbon, light blue; oxygen, red; nitrogen, blue) and are labeled with their residue name. The hydrogen bond is shown as a dashed line. Molecular docking simulations were performed by Autodock 4.2 and docking poses were visualized using PyMOL1.3.