Focused On-demand Library for Uncharacterized serine/threonine-protein kinase SBK3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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.

partner

Reaxense

upacc

P0C264

UPID:

SBK3_HUMAN

Alternative names:

SH3-binding domain kinase family member 3; Sugen kinase 110

Alternative UPACC:

P0C264

Background:

The Uncharacterized serine/threonine-protein kinase SBK3, also known by its alternative names SH3-binding domain kinase family member 3 and Sugen kinase 110, represents a novel entity in the kinase family. Its precise biological functions and mechanisms of action remain to be fully elucidated, yet its classification as a serine/threonine-protein kinase suggests a pivotal role in phosphorylation processes, which are crucial for various cellular functions.

Therapeutic significance:

Understanding the role of Uncharacterized serine/threonine-protein kinase SBK3 could open doors to potential therapeutic strategies. The exploration of its kinase activity and interaction networks is anticipated to reveal novel targets for drug discovery, offering promising avenues for the development of treatments for diseases where kinase dysregulation is a contributing factor.