Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide

Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Nakahara, K, Fuchino, K, Komano, K, Asada, N, Tadano, G, Hasegawa, T, Yamamoto, T, Sako, Y, Ogawa, M, Unemura, C, Hosono, M, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. Deposit date: 2017-09-27 Release date: 2018-08-08 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization J. Med. Chem., 61, 2018

BACE1与N-(3-((4R,5R,6S)-2-氨基-6-(1,1-二氟乙基)-5-氟-4-甲基-5,6-二氢-4H-1,3-恶嗪-4-基)-4-氟苯基)-5-(氟甲氧基)吡嗪-2-甲酰胺复合物的晶体结构
描述项：β分泌酶1（Beta-secretase 1）、二甲基亚砜（DIMETHYL SULFOXIDE）、甘油（GLYCEROL）……
作者：Nakahara, K、Fuchino, K、Komano, K、Asada, N、Tadano, G、Hasegawa, T、Yamamoto, T、Sako, Y、Ogawa, M、Unemura, C、Hosono, M、Sakaguchi, G、Ando, S、Ohnishi, S、Kido, Y、Fukushima, T、Dhuyvetter, D、Borghys, H、Gijsen, H、Yamano, Y、Iso, Y、Kusakabe, K
提交日期：2017-09-27
发布日期：2018-08-08
最后更新：2024-11-20
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.2 Å
引用文献：通过活性构象稳定策略发现强效且中枢活性的6-取代-5-氟-1,3-二氢恶嗪类β分泌酶（BACE1）抑制剂，《药物化学杂志》（J. Med. Chem.），第61卷，2018年