SAR by catalogue

A particularly powerful way to explore the initial evolution of fragment hits is the so-called SAR by catalogue approach. The fragment, or substructure(s) of the fragment chosen through inspection of the crystal structure, is used to search databases of accessible compounds. For Hsp90, we used our virtual library of commercially available compounds (rCat, [25]). This was searched for compounds... 

The lead compound 7 was identified by all the various hit identification techniques virtual screening, experimental screening of a relatively small (<60,000) compound collection and SAR by catalogue based on the resorcinol motif seen in 20. ... 

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