Covalent inhibitors targeting enzymes such as kinases or proteases for a long time were set aside due to the high reactivity and potential toxicity. However, covalent kinase inhibitors were recently successfully introduced as cancer therapeutics agents. Thus, the benefits of irreversible kinase inhibition appeared to surpass the potential risks of such drugs. Traditionally, the most targeted residue in the protein kinase active site is cysteine. Due to the low abundance of this residue, drugs targeting cysteine appear to be more selective and have a lower chance of appearing to be toxic. All covalent enzyme inhibitors must contain specific reactive group (covalent "warhead"), and alternatively to cysteine, other amino acid residues were proposed as targets for reactive small molecules as well.

We designed our Covalent Inhibitors Library to comprise compounds with reactive covalent groups targeting Cys, Ser and Lys residues. There are 12,247 potentially biologically active molecules in the library. For each molecule, the amino acid residue it targets is indicated.

The library contains compounds with acrylamide, phenyl nicotinate, aromatic nitrile, sulfonyl fluoride, carbamate and other covalent groups.


  • 12,247 compounds in total
  • At least one covalent group targeting Cys, Ser, or Lys residues
  • High diversity over the library
  • Purity >90%; spectral data available
  • Lipinski's rule of five compliant (one restriction can be violated)

Product Sheet (PDF)

Product sheet with detailed description is available in PDF format

Covalent Inhibitors Library

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