Focused On-demand Library for Ubiquitin-conjugating enzyme E2 D3

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

P61077

UPID:

UB2D3_HUMAN

Alternative names:

(E3-independent) E2 ubiquitin-conjugating enzyme D3; E2 ubiquitin-conjugating enzyme D3; Ubiquitin carrier protein D3; Ubiquitin-conjugating enzyme E2(17)KB 3; Ubiquitin-conjugating enzyme E2-17 kDa 3; Ubiquitin-protein ligase D3

Alternative UPACC:

P61077; A6NJ93; A6NJB1; A6NM99; P47986; Q6IB88; Q6NXS4; Q8N924

Background:

Ubiquitin-conjugating enzyme E2 D3, known as UBE2D3, plays a pivotal role in protein ubiquitination, a critical post-translational modification process. It accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to target proteins, facilitating diverse cellular processes such as DNA repair, protein degradation, and signal transduction. UBE2D3 is involved in 'Lys-11'- and 'Lys-48'-linked polyubiquitination, cooperating with various E3 ligases to ubiquitinate key proteins like NFKBIA, PCNA, and p53/TP53, thereby influencing cellular responses to DNA damage, cell cycle regulation, and tumor suppression.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 D3 could open doors to potential therapeutic strategies.