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Cambridge MedChem Consulting

KLIFS kinase database

KLIFS is a kinase database that dissects experimental structures of catalytic kinase domains and the way kinase inhibitors interact with them. The KLIFS structural alignment enables the comparison of all structures and ligands to each other. Moreover, the KLIFS residue numbering scheme capturing the catalytic cleft with 85 residues enables the comparison of the interaction patterns of kinase-inhibitors, for example, to identify crucial interactions determining kinase-inhibitor selectivity. DOI.



Structures (# PDBs) 5568
Monomers 12151
Unique ligands 3497
KLIFS users in Apr-2021897

Kinase Inhibitors

I've just updated the page describing Kinase inhibitors, added more on fragments and selectivity.

Kinase Inhibitor Landscape

With over 500 proteins encoded in the human genome it is perhaps not surprising that among enzyme inhibitors, Kinase inhibitors are an increasingly important therapeutic category. The plot below the number of results returned for various string searches of PubMed versus year. Whilst "serine protease inhibitors' (grey) was the highest scoring in 1995 over the intervening years "kinase inhibitors" (red) has risen and is now the highest scoring search string.


Given that many of the inhibitors target the ATP binding site it is perhaps not surprising that many molecules inhibit multiple kinases, unfortunately this information is not in a readily searchable format. A recent publication "The target landscape of clinical kinase drugs" DOI describes an approach to provide better understanding

To this end, we used a chemical proteomic approach (kinobeads) and quantitative mass spectrometry to characterize the target space of 243 clinical KIs that are approved drugs or have been tested in humans…..The number of targets for a given drug differed substantially. Whereas some compounds showed exquisite selectivity, others targeted more than 100 kinases simultaneously, making it difficult to attribute their biological effects to any particular mode of action.

All drug profiles can be interactively explored in ProteomicsDB and a purpose-built shinyApp.