Focused On-demand Library for E3 ubiquitin-protein ligase CBL-C

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 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 utilise our cutting-edge, exclusive workflow to develop focused 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.

partner

Reaxense

upacc

Q9ULV8

UPID:

CBLC_HUMAN

Alternative names:

RING finger protein 57; RING-type E3 ubiquitin transferase CBL-C; SH3-binding protein CBL-3; SH3-binding protein CBL-C; Signal transduction protein CBL-C

Alternative UPACC:

Q9ULV8; Q8N1E5; Q9Y5Z2; Q9Y5Z3

Background:

E3 ubiquitin-protein ligase CBL-C, known by alternative names such as RING finger protein 57 and Signal transduction protein CBL-C, plays a pivotal role in cellular processes. It functions as an E3 ubiquitin-protein ligase, facilitating the transfer of ubiquitin from E2 ubiquitin-conjugating enzymes to substrates, thus promoting their degradation. This protein is integral to EGFR mediated signal transduction and regulates the degradation of RET and SRC proteins, impacting cell survival and proliferation.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase CBL-C could open doors to potential therapeutic strategies.