Focused On-demand Library for Ubiquitin-conjugating enzyme E2 D4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9Y2X8

UPID:

UB2D4_HUMAN

Alternative names:

E2 ubiquitin-conjugating enzyme D4; HBUCE1; Ubiquitin carrier protein D4; Ubiquitin-protein ligase D4

Alternative UPACC:

Q9Y2X8; A4D1V0

Background:

Ubiquitin-conjugating enzyme E2 D4, known by alternative names such as E2 ubiquitin-conjugating enzyme D4, HBUCE1, Ubiquitin carrier protein D4, and Ubiquitin-protein ligase D4, plays a crucial role in the ubiquitination pathway. It accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. This enzyme is versatile, promoting polyubiquitination using all 7 ubiquitin Lys residues, with a preference for 'Lys-11' and 'Lys-48'-linked polyubiquitination.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 D4 could open doors to potential therapeutic strategies.