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. 2019 Jan 5;9(4):794–808. doi: 10.1016/j.apsb.2019.01.001

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© 2019 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences. Production and hosting by Elsevier B.V.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

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Fig. 3 — The proposed binding mode of compound 15u with LSD1 (PDB code: 2V1D). (A) 20 lowest-energy docking structures of compound 15u, with the most stable conformation shown as a cyan stick model; (B) Close-up views of the hydrogen bonds and hydrophobic interactions between compound 15u and LSD1; (C) Close-up views of the hydrogen bond interactions between compound 15u and LSD1; (D) The binding mode of compound 15u with LSD1 (PDB code: 5YJB). Compound 15u is shown in cyan stick representation, while the residues and FAD of LSD1 are shown in white and yellow stick representation, respectively.