Focused On-demand Library for Ubiquitin-conjugating enzyme E2 E1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 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.

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

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.







Alternative names:

(E3-independent) E2 ubiquitin-conjugating enzyme E1; E2 ubiquitin-conjugating enzyme E1; UbcH6; Ubiquitin carrier protein E1; Ubiquitin-protein ligase E1

Alternative UPACC:

P51965; B2RBX4; C9J8K2; K4DI90


Ubiquitin-conjugating enzyme E2 E1, known as UbcH6 or Ubiquitin carrier protein E1, plays a pivotal role in protein ubiquitination. This enzyme accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins, including mediating the selective degradation of short-lived and abnormal proteins. It is also capable of catalyzing 'Lys-48'-linked polyubiquitination in vitro.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 E1 could open doors to potential therapeutic strategies. Its involvement in protein ubiquitination suggests a fundamental role in cellular homeostasis and protein quality control, making it a target of interest in drug discovery.

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