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. 2021 Feb 18;11:4049. doi: 10.1038/s41598-021-83626-x

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© The Author(s) 2021, corrected publication 2021

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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(A) The 3D structure-based pharmacophore model of XIAP protein in complex with 46781908 (CID) ligands derived from the X-ray derived crystal structure of XIAP protein (PDB ID: 5OQW). (B) Several pharmacophore features were generated after complex interaction, four yellow spherical shapes indicating hydrophobic interaction, one blue star shape depicting the positive ionizable with tolerance 2, three red colors arrow and spherical shapes indicating H bond acceptor having tolerance 1.5, five hydrogen bond donors represented by green spherical or arrow shape have been identified within the protein–ligand complex interaction. 15 exclusion volume, which were generated during pharmacophore modeling has not showed in this schematic presentation.