Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide

Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I. Deposit date: 2019-04-08 Release date: 2019-10-30 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose. J.Med.Chem., 62, 2019

BACE1与N-{3-[(4R,5R,6R)-2-氨基-5-氟-4,6-二甲基-5,6-二氢-4H-1,3-噻嗪-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：β分泌酶1（Beta-secretase 1）、二甲基亚砜、甘油……
作者：Tadano, G、Komano, K、Yoshida, S、Suzuki, S、Nakahara, K、Fuchino, K、Fujimoto, K、Matsuoka, E、Yamamoto, T、Asada, N、Ito, H、Sakaguchi, G、Kanegawa, N、Kido, Y、Ando, S、Fukushima, T、Teisman, A、Urmaliya, V、Dhuyvetter, D、Borghys, H、Bergh, A.V.D、Austin, N、Gijsen, H.J.M、Yamano, Y、Iso, Y、Kusakabe, K.I.
沉积日期：2019-04-08
发布日期：2019-10-30
最后修改日期：2024-11-06
方法：X射线衍射（X-RAY DIFFRACTION，分辨率2.4 Å）
引用文献：《低预期人体剂量下心血管与肝脏毒性降低的强效噻嗪类β分泌酶抑制剂的发现》，《J.Med.Chem.》，第62卷，2019年