Focused On-demand Library for X-ray repair cross-complementing protein 6

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

P12956

UPID:

XRCC6_HUMAN

Alternative names:

5'-deoxyribose-5-phosphate lyase Ku70; 70 kDa subunit of Ku antigen; ATP-dependent DNA helicase 2 subunit 1; ATP-dependent DNA helicase II 70 kDa subunit; CTC box-binding factor 75 kDa subunit; DNA repair protein XRCC6; Lupus Ku autoantigen protein p70; Thyroid-lupus autoantigen; X-ray repair complementing defective repair in Chinese hamster cells 6

Alternative UPACC:

P12956; B1AHC8; Q6FG89; Q9UCQ2; Q9UCQ3

Background:

X-ray repair cross-complementing protein 6 (XRCC6), also known as Ku70, is a pivotal component in the DNA damage response pathway. It functions as a single-stranded DNA-dependent ATP-dependent helicase, crucial for DNA non-homologous end joining (NHEJ), a key mechanism for repairing double-strand breaks. XRCC6 plays a significant role in V(D)J recombination, chromosome translocation, and stabilizing broken DNA ends, thereby preserving genomic integrity.

Therapeutic significance:

Understanding the role of X-ray repair cross-complementing protein 6 could open doors to potential therapeutic strategies.