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. 2018 May 14;9:463. doi: 10.3389/fphar.2018.00463

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Copyright © 2018 Ripperger, Krischer, Robaa, Sippl and Benndorf.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Binding mode of candesartan cilexetil (A), candesartan (B), and telmisartan (C) in the crystal structure of ABCG2 (PDB ID: 5NJ3) as predicted by docking studies. The first ABCG2 monomer is colored in yellow, the second monomer in white, and the ligands in green. Hydrogen bond and salt bridge interactions are shown as teal-dashed lines. R482G and F489L substitutions (purple) (D) and location of Tyr469 (purple) in ABCG2 crystal structure (E). The predicted binding mode of telmisartan is shown as green sticks in (D,E).