Focused On-demand Library for Ketosamine-3-kinase

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







Alternative names:

Fructosamine-3-kinase-related protein; Protein-psicosamine 3-kinase FN3KRP

Alternative UPACC:

Q9HA64; Q969F4; Q9H0U7


Ketosamine-3-kinase, also known as Fructosamine-3-kinase-related protein or Protein-psicosamine 3-kinase FN3KRP, plays a crucial role in protein deglycation. It mediates the phosphorylation of ribuloselysine and psicoselysine on glycated proteins, producing ribuloselysine-3 phosphate and psicoselysine-3 phosphate. These adducts are unstable and decompose under physiological conditions, highlighting the enzyme's role in maintaining protein integrity by reversing glycation damage.

Therapeutic significance:

Understanding the role of Ketosamine-3-kinase could open doors to potential therapeutic strategies. Its involvement in protein deglycation suggests a fundamental role in cellular health and the prevention of glycation-related pathologies.

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