2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
• 化学式: C₁₃H₈ClF₃N₂O₂S
• 分子量: 348.73
• InChiKey: POMZDSBVVWODBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  83.8
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Crystal structure of homo sapiens adipocyte lipid binbing protein and uses thereof
  申请人：Pfizer Inc

  公开号：US20040219653A1

  公开（公告）日：2004-11-04

  The invention is directed generally to the structure of lipid binding proteins, particularly human lipid binding protein (aP2), a protein important in adipocyte function. The invention also relates to the use of a crystal structure of human lipid binding protein or mutants and the interaction with ligands for the design of inhibitors. Furthermore, the invention relates to the structure of ligand binding sites.

  本发明一般涉及脂质结合蛋白的结构，特别是人脂质结合蛋白（aP2），这是一种对脂肪细胞功能很重要的蛋白。本发明还涉及利用人脂质结合蛋白或突变体的晶体结构以及与配体的相互作用来设计抑制剂。此外，本发明还涉及配体结合位点的结构。
• [EN] CRYSTAL STRUCTURE OF HOMO SAPIENS ADIPOCYTE LIPID BINDING PROTEIN AND USES THEREOF<br/>[FR] STRUCTURE CRISTALLINE DE LA PROTEINE DE LIAISON DES LIPIDES DANS LES ADIPOCYTES DE L'HOMO SAPIENS
  申请人：PFIZER PROD INC

  公开号：WO2004096977A2

  公开（公告）日：2004-11-11

  The invention is directed generally to the structure of lipid binding proteins, particularly human lipid binding protein (aP2), a protein important in adipocyte function. The invention also relates to the use of a crystal structure of human lipid binding protein or mutants and the interaction with ligands for the design of inhibitors. Furthermore, the invention relates to the structure of ligand binding sites.