[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: [(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methanamine
• 化学式: C₁₃H₁₈N₂O₃
• 分子量: 250.29
• InChiKey: ODLCWRPXBNVZCY-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  57
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] E3 BINDING POCKETS AND IDENTIFICATION AND USE OF E3 LIGASE INHIBITORS<br/>[FR] POCHES DE LIAISON À E3 ET IDENTIFICATION ET UTILISATION D'INHIBITEURS DE LIGASE E3
  申请人：UNIV COLUMBIA

  公开号：WO2011160016A2

  公开（公告）日：2011-12-22

  The present invention provides, inter alia, an isolated protein fragment that includes a binding pocket or active site on an E3 ligase that modulates the E2-E3 interface, wherein the binding pocket is defined by the capacity of residue F63 of E2 to fit within the pocket. The present invention also provides an agent that interacts with such a binding pocket on a E3 ligase. Methods for identifying an agent that may inhibit a RING-domain E3 ubiquitin ligase, methods for treating a condition in a mammal using such an agent, and methods for selectively inhibiting the ubiquitination function of an E3 ligase, are further provided.