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SDsearch and PDBdock

The SDsearch software is used to search small molecule libraries for protein screening compounds.

Contains filters for chemical properties and chemical substructures Allows compound design by scaffold hopping with multi-conformer docking into protein target sites Applications include the selection of compounds for crystallographic fragment screening libraries, the design of focused scaffold screening libraries and fragment growth using docking

The PDBdock utility may be used to automatically superimpose the ligand binding sites of multiple closely related cocrystal structures.

Download SDsearch 5.0 and PDBdock 1.0 for Windows (3.4MB Zipped FBLDApps5 folder) Documentation including installation instructions Terms and conditions Request a SDsearch demo or perpetual license (please provide an institutional address) Commercial price information for SDsearch PDBdock is freely available and does not require a license

SDsearch and PDBdock were written by John Badger.

Complementary software and major chemical suppliers

• OpenBabel from SourceForge

• ChemFileBrowser from Hyleos

• ChemSketch from ACD

• Chembridge, Maybridge,   Enamine and Life Chemicals provide searchable SD files of available chemicals

Copyright: DeltaG Technologies, 2009-2010.