AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Calcium-activated chloride channel regulator 4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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.

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

Q14CN2

UPID:

CLCA4_HUMAN

Alternative names:

Calcium-activated chloride channel family member 4; Calcium-activated chloride channel protein 2; Chloride channel accessory 4

Alternative UPACC:

Q14CN2; A8MQC9; B7Z1Q5; Q6UX81; Q9UNF7

Background:

Calcium-activated chloride channel regulator 4, also known as Calcium-activated chloride channel family member 4, Calcium-activated chloride channel protein 2, and Chloride channel accessory 4, plays a crucial role in mediating calcium-activated chloride conductance. This protein's involvement in cellular processes highlights its importance in maintaining physiological balance.

Therapeutic significance:

Understanding the role of Calcium-activated chloride channel regulator 4 could open doors to potential therapeutic strategies. Its pivotal function in chloride conductance suggests its potential as a target in treating diseases where chloride ion dysregulation is a factor.

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