CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(C(=O)N(C)CC)cnn1C)C(Nc3nc2nc(cn2cc3)c4cc(ccc4)OCCF)=O, micromolar IC50=0.006128

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 c1(c(C(=O)N(C)CC)cnn1C)C(Nc3nc2nc(cn2cc3)c4cc(ccc4)OCCF)=O, micromolar IC50=0.006128 Descriptor: MAGNESIUM ION, N~4~-ethyl-N~5~-{(4S)-2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl}-N~4~,1-dimethyl-1H-pyrazole-4,5-dicarboxamide, ZINC ION, ... Authors: Joseph, C, Gobbi, L, 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 (2.04 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

创建时间：

2022-01-21