CCL: Pharmacophore flexible search tool

Dear Doug,

You can build the pharmacophore model with PharmaGist ( and search Zinc database using ZINCPharmer (


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On Tue, May 19, 2020 at 4:35 PM HOUSTON Douglas DouglasR.Houston]![ <owner-chemistry]_[> wrote:
Hi all,

Does anyone know of a free (for academics at least) chemical search tool, that will screen a large compound library (say an SDF of 100,000 molecules) against a reference pharmacophore/ligand, and treat the library compounds as flexible and not rigid?

I've asked this before but for some reason the formatting was so screwed up I don't think most people could read it!


Dr. Douglas R. Houston
Senior Lecturer in Computational Biochemistry
Institute of Quantitative Biology, Biochemistry and Biotechnology
Room 2.12, Waddington 1 Building
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University of Edinburgh
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