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. 2020 Apr 1;25(7):1622. doi: 10.3390/molecules25071622

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© 2020 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Superimposition of the IFD docking pose of ligands in CYP3A4 enzyme (a) Alprazolam (1W0E-1W0G)-Site 1, (b) Alprazolam (1W0E-1W0G)-Site 2, (c) Nevirapine (1W0F-3NXU), and (d) Tamoxifen (1W0G-1TQN). The pink dotted line indicates the distance between SOM and the heme Fe atom.

Superimposition of the IFD docking pose of ligands in CYP3A4 enzyme (a) Alprazolam (1W0E-1W0G)-Site 1, (b) Alprazolam (1W0E-1W0G)-Site 2, (c) Nevirapine (1W0F-3NXU), and (d) Tamoxifen (1W0G-1TQN). The pink dotted line indicates the distance between SOM and the heme Fe atom.