(2-Amino-4-formyl-5-hydroxy-6-methylpyridin-3-YL)methyl dihydrogen phosphate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (2-Amino-4-formyl-5-hydroxy-6-methylpyridin-3-YL)methyl dihydrogen phosphate
• 化学式: C₈H₁₁N₂O₆P
• 分子量: 262.16
• InChiKey: XHTUTGLXZYJZRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• Crystals and structures of perosamine synthase homologs
  申请人：——

  公开号：US20030101005A1

  公开（公告）日：2003-05-29

  The present invention provides machine readable media embedded with the three-dimensional molecular structure coordinates of PLP-dependent enzyme, and subsets thereof, including binding pockets, methods of using the structure to identify and design affecters, including inhibitors and activator, mutants of PSH, and compounds and compositions that affect PSH activity.

  本发明提供了嵌入 PLP 依赖性酶及其子集（包括结合口袋）三维分子结构坐标的机器可读介质、使用该结构识别和设计影响因子（包括抑制剂和激活剂）的方法、PSH 的突变体以及影响 PSH 活性的化合物和组合物。
• [EN] CRYSTALS AND STRUCTURES OF PEROSAMINE SYNTHASE HOMOLOGS<br/>[FR] CRISTAUX ET STRUCTURES D'HOMOLOGUES DE LA PEROSAMINE SYNTHASE
  申请人：STRUCTURAL GENOMIX INC

  公开号：WO2003006617A2

  公开（公告）日：2003-01-23

  The present invention provides machine readable media embedded with the three-dimensional molecular structure cordinates of PLP-dependent enzyme, and subsets thereof, including binding pockets, methods of using the structure to identify and design affecters, including inhibitors and activator, mutants of PSH, and compounds and compositions that affect PSH activity.