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. 2017 Sep 26;7:12336. doi: 10.1038/s41598-017-12101-3

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© The Author(s) 2017

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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Identified compounds do not form interactions with mutant residues. (A) The cartoon model for a wild type and dual mutation of H5N1 (PDB ID: 2HTY) are superimposed. Mutant residues are labeled as shown. The identified compounds (B) NSC45174, (C) NSC162535, and (D) NSC45609 were docked into both wild type and the MDR NA with their poses superimposed. The compounds show similar binding conformation and do not form interactions with the mutant site.