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. 2021 Mar 25;12:625808. doi: 10.3389/fimmu.2021.625808

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Copyright © 2021 Xie, Chen, Chen, Jiang, Wang, Li, Sun and Liu

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Schematic diagram of docking structure of small molecule compound K284-3046 and VSIG3 protein. (A) K284-3046 binds to VSIG3/VISTA interface. K284-3046 (blue stick) docked superposition on VSIG3 (green)/VISTA (purple) interface. (B) Interactive amino acids (orange sticks) with K284-3046 (blue stick) on VSIG3 (red dash line indicates the hydrogen bonds). (C) VSIG3 protein extracellular domain and the docked positions of K284-3046. (D) The structure of compound K284-3046. (E) The MST assay evaluates the KD value of K284-3046 binding to VSIG3 protein. The KD value is 11.61 ± 9.12 μM.