Focused On-demand Library for H(+)/Cl(-) exchange transporter 3

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.

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 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.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P51790

UPID:

CLCN3_HUMAN

Alternative names:

Chloride channel protein 3; Chloride transporter ClC-3

Alternative UPACC:

P51790; B7Z932; B9EGJ9; D3DP34; E9PB97; O14918; Q86Z21

Background:

H(+)/Cl(-) exchange transporter 3, also known as Chloride channel protein 3 or Chloride transporter ClC-3, plays a crucial role in cellular processes by mediating the exchange of chloride ions against protons. This protein is part of the CLC channel family, which includes both chloride channels and proton-coupled anion transporters. Its function as a strongly outwardly rectifying, electrogenic H(+)/Cl(-) exchanger highlights its importance in maintaining ion homeostasis within cells.

Therapeutic significance:

The protein is implicated in neurodevelopmental disorders with hypotonia, brain abnormalities, and seizures. Understanding the role of H(+)/Cl(-) exchange transporter 3 could open doors to potential therapeutic strategies for these conditions, offering hope for targeted interventions that could alleviate symptoms or possibly correct the underlying genetic variants.