Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide

Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide Descriptor: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide Authors: Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. Deposit date: 2009-04-02 Release date: 2009-05-19 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent. Bioorg.Med.Chem.Lett., 19, 2009

本数据集涵盖与人源BACE-1（β分泌酶1，BACE-1）结合的复合物结构，配体为7-乙基-N-((1S,2R)-2-羟基-3-[[(3-甲氧基苯基)(甲基)氨基]-1-(苯甲基)丙基])-1-甲基-3,4-二氢-1H-[1,2,5]噻二氮杂䓬并[3,4,5-hi]吲哚-9-甲酰胺2,2-二氧化物。
描述符：β分泌酶1（BACE-1），N-{(1S,2R)-1-苄基-2-羟基-3-[(3-甲氧基苄基)氨基]丙基}-7-乙基-1-甲基-3,4-二氢-1H-[1,2,5]噻二氮杂䓬并[3,4,5-hi]吲哚-9-甲酰胺2,2-二氧化物
作者：Charrier, N、Clarke, B、Demont, E、Dingwall, C、Dunsdon, R、Hawkins, J、Hubbard, J、Hussain, I、Maile, G、Matico, R、Mosley, J、Naylor, A、O'Brien, A、Redshaw, S、Rowland, P、Soleil, V、Smith, K.J、Sweitzer, S、Theobald, P、Vesey, D、Walter, D.S、Wayne, G.
存档日期：2009-04-02
发布日期：2009-05-19
最后修改日期：2024-10-23
研究方法：X射线衍射（分辨率1.6 Å）
引用文献：《第二代BACE-1抑制剂 第2部分：非Prime侧取代基的优化》，《Bioorg.Med.Chem.Lett.》（生物有机与药物化学快报），19卷，2009年