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. 2024 Feb 13;39(1):2311157. doi: 10.1080/14756366.2024.2311157

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© 2024 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. The terms on which this article has been published allow the posting of the Accepted Manuscript in a repository by the author(s) or with their consent.

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Figure 13. — The 2D/3D interaction diagram of compound 5 within the binding site of EGFR tyrosine kinase domain (PDB ID: 1M17). (A) Showing the 2D interaction diagram, amino acids in contact with compound 5 are displayed as spheres. Violet spheres represent polar amino acids while green sphere represents hydrophobic amino acids. Solvent-exposed regions of compound 5 are highlighted in blue. The dotted lines represent non-bonding interactions. (B) The 3D interaction diagram of compound 5 reveals a 65.6° dihedral angle between the phenyl ring and coumarin scaffold allowing optimum 3D geometry for the coumarin ring to interact with Val 702 in G-loop and side chain of Thr766 via water bridge.