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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

E2 ubiquitin-conjugating enzyme E2; UbcH8; Ubiquitin carrier protein E2; Ubiquitin-protein ligase E2

Alternative UPACC:



The Ubiquitin-conjugating enzyme E2 E2, known alternatively as E2 ubiquitin-conjugating enzyme E2, UbcH8, Ubiquitin carrier protein E2, and Ubiquitin-protein ligase E2, plays a pivotal role in protein ubiquitination. It accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins, facilitating 'Lys-11'-, 'Lys-48'-, and 'Lys-63'-linked polyubiquitination. This enzyme also catalyzes the ISGylation of influenza A virus NS1 protein, showcasing its versatility in post-translational modifications.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 E2 could open doors to potential therapeutic strategies, particularly in targeting viral infections and regulating protein degradation pathways.

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