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

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P61088

UPID:

UBE2N_HUMAN

Alternative names:

Bendless-like ubiquitin-conjugating enzyme; E2 ubiquitin-conjugating enzyme N; Ubc13; UbcH13; Ubiquitin carrier protein N; Ubiquitin-protein ligase N

Alternative UPACC:

P61088; Q16781; Q53Y81

Background:

Ubiquitin-conjugating enzyme E2 N (Ubc13) plays a pivotal role in DNA repair, cell cycle progression, and differentiation. It forms heterodimers with UBE2V1 or UBE2V2 to catalyze 'Lys-63'-linked polyubiquitination, crucial for non-proteasomal protein regulation, transcriptional activation, and DNA damage response. Ubc13's involvement in 'Lys-63'-linked polyubiquitination of PCNA and JKAMP underlines its significance in maintaining genomic stability and protein homeostasis.

Therapeutic significance:

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