AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Solute carrier family 12 member 7

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9Y666

UPID:

S12A7_HUMAN

Alternative names:

Electroneutral potassium-chloride cotransporter 4; K-Cl cotransporter 4

Alternative UPACC:

Q9Y666; A6NDS8; Q4G0F3; Q96I81; Q9H7I3; Q9H7I7; Q9UFW2

Background:

Solute carrier family 12 member 7, also known as the electroneutral potassium-chloride cotransporter 4 (K-Cl cotransporter 4), plays a crucial role in maintaining ion balance across cell membranes. This protein mediates potassium and chloride ions' cotransport in response to cell swelling, a process vital for cellular function and integrity. Its activity is particularly significant in the cochlea of the inner ear, where it aids in potassium recycling, essential for hearing. Additionally, it contributes to renal acidification by facilitating chloride extrusion in the kidney.

Therapeutic significance:

Understanding the role of Solute carrier family 12 member 7 could open doors to potential therapeutic strategies.

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