Focused On-demand Library for SMC5-SMC6 complex localization factor protein 2

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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

Q8IX21

UPID:

SLF2_HUMAN

Alternative names:

Smc5/6 localization factor 1

Alternative UPACC:

Q8IX21; A8K950; B1AL17; Q5W0L8; Q6GMU6; Q9NPE8

Background:

The SMC5-SMC6 complex localization factor protein 2, also known as Smc5/6 localization factor 1, is pivotal in the DNA damage response (DDR) pathway. It regulates postreplication repair of UV-damaged DNA and maintains genomic stability. This protein, through the SLF1-SLF2 complex, links RAD18 with the SMC5-SMC6 complex at replication-coupled interstrand cross-links and DNA double-strand breaks sites during DNA repair.

Therapeutic significance:

Given its crucial role in DNA repair and genomic stability, understanding the role of SMC5-SMC6 complex localization factor protein 2 could open doors to potential therapeutic strategies for Atelis syndrome 1, a disorder marked by developmental delay, microcephaly, and various physical anomalies, where patient cells exhibit spontaneous chromosome breakage.