Focused On-demand Library for Ubiquitin-conjugating enzyme E2 variant 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q13404

UPID:

UB2V1_HUMAN

Alternative names:

CROC-1; TRAF6-regulated IKK activator 1 beta Uev1A

Alternative UPACC:

Q13404; E1P629; Q13403; Q13532; Q5TGE0; Q5TGE3; Q96H34; Q9GZT0; Q9GZW1; Q9H4J3; Q9H4J4; Q9UKL1; Q9UM48; Q9UM49; Q9UM50

Background:

Ubiquitin-conjugating enzyme E2 variant 1 (UBE2V1), also known as CROC-1 and TRAF6-regulated IKK activator 1 beta Uev1A, plays a pivotal role in cellular processes. It forms a heterodimer with UBE2N, catalyzing the synthesis of Lys-63-linked poly-ubiquitin chains. These chains are crucial for activating IKK, NF-kappa-B, and are involved in DNA repair, cell cycle control, and differentiation. UBE2V1's function extends to mediating transcriptional activation of target genes and contributing to the survival of cells post-DNA damage.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 variant 1 could open doors to potential therapeutic strategies.