Focused On-demand Library for Ubiquitin-conjugating enzyme E2 B

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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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.


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
P63146

UPID:
UBE2B_HUMAN

ALTERNATIVE NAMES:
E2 ubiquitin-conjugating enzyme B; RAD6 homolog B; Ubiquitin carrier protein B; Ubiquitin-conjugating enzyme E2-17 kDa; Ubiquitin-protein ligase B

ALTERNATIVE UPACC:
P63146; B2R503; D3DQA2; P23567; Q4PJ15; Q9D0J6

BACKGROUND:
The Ubiquitin-conjugating enzyme E2 B, known for its alternative names such as E2 ubiquitin-conjugating enzyme B and Ubiquitin carrier protein B, is a key player in the ubiquitin-proteasome system. It facilitates the covalent attachment of ubiquitin to substrates, a fundamental step for protein degradation, DNA repair, and cell signaling. Its association with the E3 ligase RAD18, forming the UBE2B-RAD18 ubiquitin ligase complex, is crucial for the mono-ubiquitination of DNA-associated PCNA, highlighting its role in maintaining genomic stability.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Ubiquitin-conjugating enzyme E2 B could open doors to potential therapeutic strategies. Given its critical function in maintaining genomic stability and regulating protein degradation, targeting this enzyme could offer new avenues for treating genetic disorders and cancer.

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