1-[5-[6-[[[[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]hexylamino]-5-oxopentyl]-2-[3-[1-ethyl-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: 1-[5-[6-[[[[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]hexylamino]-5-oxopentyl]-2-[3-[1-ethyl-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonic acid
• 化学式: C46H65N9O20P3S2+
• 分子量: 1221.1
• InChiKey: UWWRTTVKKRSTHB-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  80
• 可旋转键数：
  28
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  449
• 氢给体数：
  11
• 氢受体数：
  24

文献信息

• Method for Measuring Binding of a Test Compound to a G-Protein Coupled Receptor
  申请人：Briggs Samuel Mark

  公开号：US20070218520A1

  公开（公告）日：2007-09-20

  The invention provides a method for measuring binding of a test compound to a G-Protein Coupled Receptor (GPCR). The invention also provides a method for identifying and measuring the effect that an agent has upon modulating the binding of a test compound to a G-Protein Coupled Receptor.