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. 2017 Jun 29;32(1):850–864. doi: 10.1080/14756366.2017.1334648

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© 2017 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.

This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial License (http://creativecommons.org/licenses/by-nc/4.0/), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 2. — Molecular modelling-guided design. (A) Representation of various modulations around the benzoxazole scaffold. (B) Predicted binding mode of ZM-241385 in the apoA2AR-T4E pocket (dark) compared with the X-ray binding mode (gray). (C) Putative binding mode of compound F1 in the apoA2AR-T4E pocket.