Crystallographic fragment screening (CFS) provides excellent starting points for projects concerned with drug discovery or biochemical tool compound development. One of the fundamental prerequisites for effective CFS is the availability of a versatile fragment library. Here, we report on the assembly of the 1,103-compound F2X-Universal Library and its 96-compound sub-selection, the F2X-Entry Screen. Both represent the available fragment chemistry and are highly diverse in terms of their 3D-pharmacophore variations. Validation of the F2X-Entry Screen in CFS campaigns using endothiapepsin and the Aar2/RNaseH complex yielded hit rates of 30% and 21%, respectively, and revealed versatile binding sites. Dry presentation of the libraries allows CFS campaigns to be carried out with or without the co-solvent DMSO present. Most of the hits in our validation campaigns could be reproduced also in the absence of DMSO. Consequently, CFS can be carried out more efficiently and for a wider range of conditions and targets.

晶体学碎片筛选（CFS）为涉及药物发现或生化工具化合物开发的项目提供了极好的起点。有效CFS的基本先决条件之一是多功能片段库的可用性。在这里，我们报告有关1,103化合物F2X通用库的装配及其96化合物子选择F2X条目屏幕的信息。两者都代表可用的片段化学，并且就其3D-药效团变化而言，差异很大。在CFS运动中使用内皮抑素和Aar2 / RNaseH复合物对F2X进入屏幕的验证分别产生了30％和21％的命中率，并揭示了多种结合位点。库的干式显示允许在有或没有共溶剂DMSO的情况下进行CFS运动。在没有DMSO的情况下，我们的验证活动中的大多数点击量都可以复制。因此，粮安委可以更有效地进行，并适用于更广泛的条件和目标。