Covalent ligands are (re-)emerging as attractive leads due to their potentially improved selectivity, potency, and duration of the desired effects. In a collaboration with our partner Enamine we have processed their vast covalent compound library containing a broad range of warheads into a ready-to-dock format for SeeSAR’s covalent docking. Warhead functionalities were translated to their complex-bound form allowing fast and easy virtual screening.
Several filter options allow to search for compounds specific to your target residue or containing a particular warhead structure e.g. disulfide, aldehyde, boronates, acrylamides, and many more. With this you have all the possibilities at hand to focus on compounds meeting your project requirements. To further support you in your covalent drug discovery campaign, we have created a covalent docking guide and offer a covalent docking workshop for SeeSAR. After assessment of potential binders you have the possibility to order compounds of interest which can be confidently synthesized by Enamine within 4 weeks only with a convincingly high success rate.
Simply download the set and conveniently discover novel covalent hits for your target. Download the Enamine covalent library today and find your next hit with SeeSAR’s covalent docking here!