Focused On-demand Library for Calcium-activated chloride channel regulator 2

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 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 top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9UQC9

UPID:

CLCA2_HUMAN

Alternative names:

Calcium-activated chloride channel family member 2; Calcium-activated chloride channel protein 3

Alternative UPACC:

Q9UQC9; A8K2T3; Q9Y6N2

Background:

Calcium-activated chloride channel regulator 2, also known as Calcium-activated chloride channel family member 2 or protein 3, plays a crucial role in modulating chloride current across the plasma membrane in a calcium-dependent manner. It is essential for cell adhesion and the stratification of squamous epithelia. Its involvement in basal cell adhesion and potential tumor suppressor function in breast and colorectal cancer highlights its significance in cellular processes.

Therapeutic significance:

Understanding the role of Calcium-activated chloride channel regulator 2 could open doors to potential therapeutic strategies, especially in the context of its tumor suppressor capabilities and its critical function in cell adhesion and lung metastasis initiation.