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

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P0C264

UPID:
SBK3_HUMAN

ALTERNATIVE NAMES:
SH3-binding domain kinase family member 3; Sugen kinase 110

ALTERNATIVE UPACC:
P0C264

BACKGROUND:
Uncharacterized serine/threonine-protein kinase SBK3, known alternatively as SH3-binding domain kinase family member 3 and Sugen kinase 110, is a member of the serine/threonine-protein kinase family. This protein's role and interaction within cellular pathways remain largely unexplored, positioning it as a significant subject for scientific inquiry. Its involvement in phosphorylation suggests critical functions in cell signaling and regulation.

THERAPEUTIC SIGNIFICANCE:
The investigation into Uncharacterized serine/threonine-protein kinase SBK3's function and regulatory mechanisms holds the potential to unlock new therapeutic opportunities. As research progresses, the identification of its substrates and regulatory pathways may provide key insights into novel drug targets, particularly in conditions associated with kinase imbalances.

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