Focused On-demand Library for Histone-lysine N-methyltransferase, H3 lysine-36 specific

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop 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

Q96L73

UPID:

NSD1_HUMAN

Alternative names:

Androgen receptor coactivator 267 kDa protein; Androgen receptor-associated protein of 267 kDa; H3-K36-HMTase; Lysine N-methyltransferase 3B; Nuclear receptor-binding SET domain-containing protein 1

Alternative UPACC:

Q96L73; Q96PD8; Q96RN7

Background:

Histone-lysine N-methyltransferase, H3 lysine-36 specific, also known as Nuclear receptor-binding SET domain-containing protein 1, plays a pivotal role in chromatin structure and gene expression. It specifically dimethylates Lys-36 of histone H3, influencing transcription in a context-dependent manner. This protein is also recognized by its alternative names, including Androgen receptor coactivator 267 kDa protein and H3-K36-HMTase.

Therapeutic significance:

The protein is implicated in Sotos syndrome, characterized by overgrowth and developmental delays, and Beckwith-Wiedemann syndrome, known for abdominal wall defects and overgrowth. Understanding the role of Histone-lysine N-methyltransferase, H3 lysine-36 specific, could open doors to potential therapeutic strategies for these genetic disorders.