N-[(1S)-1-Carboxy-3-methylbutyl]-3-[(4-iodophenyl)methyl]-L-histidine | 429661-98-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[(1S)-1-Carboxy-3-methylbutyl]-3-[(4-iodophenyl)methyl]-L-histidine
• 英文别名: (2S)-2-[[(1S)-1-carboxy-2-[3-[(4-iodophenyl)methyl]imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid
• CAS: 429661-98-3
• 化学式: C₁₉H₂₄IN₃O₄
• 分子量: 485.3
• InChiKey: GTZJUXUQVMXOER-IRXDYDNUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• ACE-2 modulating compounds and methods of use thereof
  申请人：——

  公开号：US20040082496A1

  公开（公告）日：2004-04-29

  ACE-2 modulating compounds for the treatment of body weight disorders are disclosed. Methods of using the compounds and pharmaceutical compositions containing the compounds are also claimed.

  抗ACE-2调节化合物用于治疗体重失调的方法已被披露。还声称了使用这些化合物的方法和含有这些化合物的药物组合物。
• Crystal structure of angiotensin-converting enzyme-related carboxypeptidase
  申请人：——

  公开号：US20040209344A1

  公开（公告）日：2004-10-21

  The invention relates to molecules or molecular complexes which comprise binding pockets of angiotensin-converting enzyme-related carboxypeptidase or its homologues. The invention relates to a computer comprising a data storage medium encoded with the structure coordinates of such binding pockets. The invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. The invention relates to methods of using the structure coordinates to screen for and design compounds that bind to angiotensin-converting enzyme-related carboxypeptidase protein or homologues thereof. The invention also relates to crystallizable compositions and crystals comprising angiotensin-converting enzyme-related carboxypeptidase protein or angiotensin-converting enzyme-related carboxypeptidase protein complexes.

  本发明涉及包含血管紧张素转换酶相关羧肽酶或其同源物结合口袋的分子或分子复合物。本发明涉及一种计算机，该计算机包含一个数据存储介质，该介质编码有此类结合口袋的结构坐标。本发明还涉及使用这些结构坐标求解同源蛋白质或蛋白质复合物结构的方法。本发明涉及利用结构坐标筛选和设计与血管紧张素转换酶相关羧肽酶蛋白或其同源物结合的化合物的方法。本发明还涉及包含血管紧张素转换酶相关羧肽酶蛋白或血管紧张素转换酶相关羧肽酶蛋白复合物的可结晶组合物和晶体。
• CRYSTAL STRUCTURE OF ANGIOTENSIN-CONVERTING ENZYME-RELATED CARBOXYPEPTIDASE
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：EP1625459A2

  公开（公告）日：2006-02-15
• US7045532B2
  申请人：——

  公开号：US7045532B2

  公开（公告）日：2006-05-16
• [EN] CRYSTAL STRUCTURE OF ANGIOTENSIN-CONVERTING ENZYME-RELATED CARBOXYPEPTIDASE<br/>[FR] STRUCTURE CRISTALLINE DE LA CARBOXYPEPTIDASE LIEE A L'ENZYME CONVERTISSANT L'ANGIOTENSINE
  申请人：MILLENIUM PHARMACEUTICALS INC

  公开号：WO2004023270A2

  公开（公告）日：2004-03-18

  The invention relates to molecules or molecular complexes which comprise binding pockets of angiotensin-converting enzyme-related carboxypeptidase or its homologues. The invention relates to a computer comprising a data storage medium encoded with the structure coordinates of such binding pockets. The invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. The invention relates to methods of using the structure coordinates to screen for and design compounds that bind to angiotensin-converting enzyme-related carboxypeptidase protein or homologues thereof. The invention also relates to crystallizable compositions and crystals comprising angiotensin-converting enzyme-related carboxypeptidase protein or angiotensin-converting enzyme-related carboxypeptidase protein complexes.