Focused On-demand Library for E3 ubiquitin-protein ligase RNF19B

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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 comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q6ZMZ0

UPID:

RN19B_HUMAN

Alternative names:

IBR domain-containing protein 3; Natural killer lytic-associated molecule; RING finger protein 19B

Alternative UPACC:

Q6ZMZ0; B7ZLB2; E9PAW6; G3XA82; Q0VG77; Q5TH44; Q5TH45; Q6P6A4; Q8N2S8; Q8WUF3

Background:

E3 ubiquitin-protein ligase RNF19B, also known as IBR domain-containing protein 3, Natural killer lytic-associated molecule, and RING finger protein 19B, plays a crucial role in protein ubiquitination. It collaborates with E2 ubiquitin-conjugating enzymes UBE2L3 and UBE2L6, transferring ubiquitin to substrates like UCKL1. This protein is pivotal in the cytolytic activity of natural killer cells and cytotoxic T-cells, and it offers protection against staurosporin-induced cell death.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase RNF19B could open doors to potential therapeutic strategies.