Focused On-demand Library for Acid-sensing ion channel 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

This includes extensive molecular simulations of the ion channel in its native membrane environment, in open, closed, and inactivated forms, paired with ensemble virtual screening that factors in conformational mobility in each state. Tentative binding pockets are considered in the pore, the gating region, and allosteric areas to capture the full range of mechanisms of action.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.







Alternative names:

Amiloride-sensitive cation channel 2, neuronal; Brain sodium channel 2

Alternative UPACC:

P78348; A3KN86; E5KBL7; P78349; Q96CV2


Acid-sensing ion channel 1, known as Amiloride-sensitive cation channel 2, neuronal or Brain sodium channel 2, plays a crucial role in the nervous system. Isoforms 2 and 3 act as proton-gated sodium channels, sensitive to extracellular pH changes, facilitating sodium and lithium ion transport efficiently. Isoform 2 also transports potassium, while isoform 3 can transport calcium ions, influencing intracellular Ca(2+) concentration and impacting neuronal health and dendritic spine density.

Therapeutic significance:

Understanding the role of Acid-sensing ion channel 1 could open doors to potential therapeutic strategies, especially in mitigating ischemic brain injury and modulating innate fear circuits through its influence on intracellular calcium levels and calmodulin-dependent protein kinase II phosphorylation.

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