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

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.

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 our partner 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 high-tech, dedicated method is applied to construct targeted 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.

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

Reaxense

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:

E3 ubiquitin-protein ligase CBL, also known as Casitas B-lineage lymphoma proto-oncogene, plays a pivotal role in cellular signaling. It functions as a negative regulator by mediating ubiquitination and subsequent degradation of various cell surface receptors, including EGFR and receptor tyrosine kinases. This process is crucial for terminating signaling pathways to maintain cellular homeostasis. CBL's involvement in osteoblast differentiation and apoptosis highlights its significance in bone metabolism.

Therapeutic significance:

CBL's mutation is linked to Noonan syndrome-like disorder with or without juvenile myelomonocytic leukemia, showcasing its clinical relevance. Understanding the role of E3 ubiquitin-protein ligase CBL could open doors to potential therapeutic strategies, especially in malignancies and bone disorders. Targeting CBL's activity or its pathways could offer novel approaches for treating related diseases.