Discovery of Potential Orthosteric and Allosteric Antagonists of P2Y1R from Chinese Herbs by Molecular Simulation Methods

<div>Structures, ID number, and the value of IC50 of 7 compounds in the training set for the generation of orthosteric pharmacophore hypothesis.</div>

Evidence-Based Complementary and Alternative Medicine

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Figure 1

Figure 1: Discovery of Potential Orthosteric and Allosteric Antagonists of P2Y1R from Chinese Herbs by Molecular Simulation Methods 