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

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P22681

UPID:
CBL_HUMAN

ALTERNATIVE NAMES:
Casitas B-lineage lymphoma proto-oncogene; Proto-oncogene c-Cbl; RING finger protein 55; RING-type E3 ubiquitin transferase CBL; Signal transduction protein CBL

ALTERNATIVE UPACC:
P22681; A3KMP8

BACKGROUND:
The protein E3 ubiquitin-protein ligase CBL, known for its roles as an adapter and E3 ubiquitin-protein ligase, is integral in regulating signaling pathways initiated by cell surface receptor activation. By ubiquitinating substrates like SPRY2 and EGFR, CBL ensures the proper termination of signaling cascades, playing a key role in hematopoietic cell signal transduction and osteoclast function. Its phosphorylation is essential for osteoclast activity, underlining its importance in bone resorption.

THERAPEUTIC SIGNIFICANCE:
Given its association with Noonan syndrome-like disorder and potential involvement in juvenile myelomonocytic leukemia, E3 ubiquitin-protein ligase CBL represents a critical target for drug discovery. Exploring the mechanisms by which CBL mutations contribute to these conditions could lead to innovative treatments, emphasizing the therapeutic significance of this protein in combating genetic disorders and certain cancers.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.