AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Casein kinase I isoform gamma-3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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

Q9Y6M4

UPID:

KC1G3_HUMAN

Alternative names:

-

Alternative UPACC:

Q9Y6M4; A8K040; B4DSH2; B7Z9Q4; E7EVD0; Q86WZ7; Q9Y6M3

Background:

Casein kinase I isoform gamma-3, identified by the accession number Q9Y6M4, is a serine/threonine-protein kinase. This enzyme is known for its preference for acidic proteins such as caseins as substrates, showcasing its ability to phosphorylate a wide array of proteins. It plays a crucial role in the Wnt signaling pathway and is instrumental in regulating fast synaptic transmission mediated by glutamate, highlighting its significance in cellular communication and signal transduction processes.

Therapeutic significance:

Understanding the role of Casein kinase I isoform gamma-3 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways and synaptic transmission underscores its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.

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