Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


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
Receptor.AI
 
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:
The protein Calcium-activated chloride channel regulator 4, with alternative names such as Calcium-activated chloride channel family member 4 and Chloride channel accessory 4, is implicated in calcium-activated chloride conductance. This suggests its integral role in cellular signaling and ion homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Calcium-activated chloride channel regulator 4 offers promising avenues for drug discovery. Given its role in mediating chloride conductance, targeting this protein could lead to innovative treatments for conditions associated with chloride ion imbalance.

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