Focused On-demand Library for Ubiquitin-conjugating enzyme E2 D2

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P62837

UPID:

UB2D2_HUMAN

Alternative names:

(E3-independent) E2 ubiquitin-conjugating enzyme D2; E2 ubiquitin-conjugating enzyme D2; Ubiquitin carrier protein D2; Ubiquitin-conjugating enzyme E2(17)KB 2; Ubiquitin-conjugating enzyme E2-17 kDa 2; Ubiquitin-protein ligase D2; p53-regulated ubiquitin-conjugating enzyme 1

Alternative UPACC:

P62837; D3DQC9; P51669; Q3MN78; Q96RP6

Background:

Ubiquitin-conjugating enzyme E2 D2, also known as E2 ubiquitin-conjugating enzyme D2 or Ubiquitin carrier protein D2, plays a pivotal role in protein ubiquitination. It accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins, facilitating 'Lys-48'-linked polyubiquitination. This enzyme is crucial for the selective degradation of short-lived and abnormal proteins, including the mediation of p53/TP53 ubiquitination, and is involved in various cellular processes such as signal-induced conjugation and degradation of NFKBIA.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 D2 could open doors to potential therapeutic strategies.