Focused On-demand Library for E3 ubiquitin-protein ligase TRIM47

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.

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 use our state-of-the-art dedicated workflow for designing focused 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.

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

Q96LD4

UPID:

TRI47_HUMAN

Alternative names:

Gene overexpressed in astrocytoma protein; RING finger protein 100; Tripartite motif-containing protein 47

Alternative UPACC:

Q96LD4; Q96AD0; Q96GU5; Q9BRN7

Background:

E3 ubiquitin-protein ligase TRIM47, also known as Gene overexpressed in astrocytoma protein, RING finger protein 100, and Tripartite motif-containing protein 47, plays a crucial role in cellular processes through the ubiquitination and proteasomal degradation of CYLD. This protein's unique function underscores its importance in maintaining cellular homeostasis and regulating protein turnover.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM47 could open doors to potential therapeutic strategies. Its pivotal function in protein degradation pathways highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.