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. 2018 Jan 26;8:1680. doi: 10.1038/s41598-018-19872-3

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© The Author(s) 2018

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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Crystal structures showing the binding mode of (a) 10 (PDB code 4BU3)¹⁸, (b) 13, (c) 14, and (d) 15 to TNKS2 catalytic domain. The C-ring contains either the amino, hydroxyl or methoxy group in ortho- or meta-position. The compounds which have a meta-substitution are found in double conformations in the crystal structures. Black dashed lines represent hydrogen bonds and red spheres represent water molecules. Sigma A weighted 2Fo – Fc electron density map around the ligands is contoured at 1.5 σ.