![]() ![]() Enamine: 81k compounds(requires downsizing prior to SeeSAR usage).Chemspace: 200k compounds(requires downsizing prior to SeeSAR usage).Cysteine-targeting Teaser Set: 10k compounds.You can use this to test and playfully explore the covalent docking feature of SeeSAR together with the Covalent Docking Guide (PDF) on your own.įor support in setting up your library or virtual screening please do not hesitate to contact us. Any library can be filtered by target residue, warhead, MW, and much more. We offer a "Teaser Set" of 10k randomly selected compounds with warheads targeting CYS residues. Important note: Due to the current limitation of 50,000 entries in SeeSAR tables, we recommend a pre-filtering of the big libraries (e.g. Thus, over 30 warheads can be covalently docked at your target of interest and assessed for their binding mode. In a collaborative effort, we have translated several compound supplier libraries into a convenient, ready-to-dock SeeSAR format. With the recent introduction of covalent docking into SeeSAR, you now have everything at hand to explore and discover covalent binders at any suitable residue in your binding site. A covalent binding mode may have many advantages - including improved selectivity and prolonged pharmacological duration. ![]()
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