CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(C)c(nc(c1)c2ccccc2)C#Cc5nn3c(nc(c3CO)C4CC4)cc5, micromolar IC50=0.046595

Protein Data Bank Japan2024-10-16 更新2026-03-21 收录

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CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(C)c(nc(c1)c2ccccc2)C#Cc5nn3c(nc(c3CO)C4CC4)cc5, micromolar IC50=0.046595 Descriptor: MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ... Authors: Joseph, C, Groebke-Zbinden, K, Benz, J, Schlatter, D, Rudolph, M.G. Deposit date: 2022-01-21 Release date: 2022-10-12 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.29 Å) Cite: A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36, 2022

人源磷酸二酯酶10与配体n1(C)c(nc(c1)c2ccccc2)C#Cc5nn3c(nc(c3CO)C4CC4)cc5形成复合物的晶体结构，其半数抑制浓度(IC50)为0.046595微摩尔。相关描述项：镁离子(MAGNESIUM ION)、锌离子(ZINC ION)、环磷酸腺苷(cAMP)以及受cAMP抑制的环磷酸鸟苷3',5'-环磷酸二酯酶10A(cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A)。作者：Joseph, C、Groebke-Zbinden, K、Benz, J、Schlatter, D、Rudolph, M.G. 提交日期：2022-01-21，发布日期：2022-10-12，最后修改日期：2024-10-16。实验方法：X射线衍射(X-RAY DIFFRACTION)（分辨率2.29埃）。引用文献：《用于结合亲和力预测的高质量工业数据集：不同早期药物发现场景下的性能对比》，J.Comput.Aided Mol.Des.，第36卷，2022年

创建时间：

2022-01-21