CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C)Nc2cncnc2)C(Nc3nn(cc3)C(C)C)=O, micromolar IC50=0.204685

CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C)Nc2cncnc2)C(Nc3nn(cc3)C(C)C)=O, micromolar IC50=0.204685 Descriptor: 6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide, MAGNESIUM ION, ZINC ION, ... Authors: Joseph, C, Benz, J, Flohr, A, Vieira, E, Rudolph, M.G. Deposit date: 2022-02-01 Release date: 2022-10-12 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal Structure of a human phosphodiesterase 10 complex To be published

人源磷酸二酯酶10与SMILES表达式为c1(c(ccc(n1)C)Nc2cncnc2)C(Nc3nn(cc3)C(C)C)=O的配体形成的共晶结构，其微摩尔级半数抑制浓度（IC50）为0.204685。配体描述：6-甲基-N-[1-(异丙基)-1H-吡唑-3-基]-3-[(嘧啶-5-基)氨基]吡啶-2-甲酰胺，体系含镁离子、锌离子等组分。作者：C·约瑟夫、J·本茨、A·弗洛尔、E·维埃拉、M.G.·鲁道夫。沉积日期：2022-02-01；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2.6埃（Å）。引用文献：《人源磷酸二酯酶10共晶结构》，待发表。