In the early years of drug discovery, compounds able to form covalent bonds with target protein were filtered out by substructure or consciously omitted as too reactive, promiscuous or toxic. Now one can say that many drugs people have been using for a really long time are actually covalent binders. Covalent modifiers are used in treatment of arthritis, and have been reported as antibacterial and antiviral agents. Also, investigations are conducted in order to find usage for them in cancer treatment.
Compounds for Chemspace Covalent Fragments set were picked from our Selected Screening set accordingly to the Fragment-like physicochemical criteria and presence of possible covalent binder in the molecule. The latter includes alkyl thiols and halides,oxirane and oxetane rings, sulfonyl halides, Michael acceptors, carbamates, terminal alkynes and methylene-active compounds.
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