Focused On-demand Library for Serine protease inhibitor Kazal-type 5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

Lympho-epithelial Kazal-type-related inhibitor

Alternative UPACC:

Q9NQ38; A8MYE8; B7WPB7; D6REN5; O75770; Q3LX95; Q3LX96; Q3LX97; Q96PP2; Q96PP3


Serine protease inhibitor Kazal-type 5, also known as Lympho-epithelial Kazal-type-related inhibitor, plays a crucial role in the anti-inflammatory and antimicrobial protection of mucous epithelia. It regulates the activity of defense-activating and desquamation-involved proteases, including inhibiting KLK5, KLK7, KLK14, CASP14, and trypsin in a pH-dependent manner. This protein is vital for maintaining the integrity and protective barrier function of the skin.

Therapeutic significance:

The protein's involvement in Netherton syndrome, a condition characterized by congenital ichthyosis, hair shaft abnormalities, and immune system anomalies, highlights its therapeutic significance. Understanding the role of Serine protease inhibitor Kazal-type 5 could open doors to potential therapeutic strategies for treating this syndrome and improving patient outcomes.

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