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. 2020 Dec 14;10:21842. doi: 10.1038/s41598-020-78827-9

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© The Author(s) 2020

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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Docking pose of 10b at D₂R. (a) Overview of the 10b pose in the D₂R. (b) The stick representation of the indanylamine pharmacophore in the orthosteric binding pocket shows an ionic interaction of the protonated nitrogen with D114^3.32, while the aromatic ringsystem is accommodated in a hydrophobic pocket formed by V115^3.33, C118^3.36, T119^3.37, S197^5.46, F198^5.47, F382^6.44, W386^6.48 and F389^6.51. The propyl substituent of the protonated amine points into a hydrophobic cleft formed by W386^6.48, F390^6.52 and T412^7.39. (c) Surface representation of the extracellular loop region. 10b is colored yellow, while EL1, EL2 and EL3 are colored in green, red and cyan, respectively. The polar sulfonate group of 10b is directed outwards towards the solvent.