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. 2019 Jan 24;9:465. doi: 10.1038/s41598-018-37116-2

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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 of HCN blockers to the apo-closed HCN1 pore. The results from 500 attempts to dock clonidine (A) alinidine (B) lidocaine (C) ZD7288 (D) and ivabradine (E) to the closed pore of the cryo-EM structure (PDB: 5U6O). Despite these ligands being known to block or be “trapped” in the closed state, none of the 500 docked poses for any of these inhibitors were observed in the pore cavity. These data indicate that the apo-closed pore conformation must differ from the ligand-trapped closed pore.