Focused On-demand Library for H(+)/Cl(-) exchange transporter 4

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

P51793

UPID:

CLCN4_HUMAN

Alternative names:

Chloride channel protein 4; Chloride transporter ClC-4

Alternative UPACC:

P51793; A1L3U1; B7Z5Z4; Q9UBU1

Background:

H(+)/Cl(-) exchange transporter 4, also known as Chloride channel protein 4 or Chloride transporter ClC-4, is a pivotal protein in the CLC channel family. It functions as a strongly outwardly rectifying, electrogenic H(+)/Cl(-) exchanger, facilitating the exchange of chloride ions against protons. This activity is crucial for maintaining ion homeostasis across cellular membranes, a process essential for various physiological functions.

Therapeutic significance:

The protein's malfunction is linked to Raynaud-Claes syndrome, an X-linked disorder characterized by intellectual disability, psychiatric issues, and seizures. Understanding the role of H(+)/Cl(-) exchange transporter 4 could open doors to potential therapeutic strategies for treating this syndrome and related conditions.