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. 2021 Jun 9;11:12150. doi: 10.1038/s41598-021-90287-3

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© The Author(s) 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 distance constraints of vital 3D pharmacophoric features were calculated and displayed in the ATP binding site of PKC-η and Overlays of virtual hits in the ATP binding site of PKC-η including vector projections. The PLIF computed the interactions between the PKC-η PKC-η -virtual, (B) The barcode representation of fingerprint of the PKC-η-ligand complexes: The x-axis displays a three-letter code of the key residues and the y-axis shows the number of PKC-η-ligand complexes, and (C) Population mode refers to the histogram of fingerprint of the virtual hits showing the number of ligands with which each residue interacts.