AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Anion exchange protein 2

Available from Reaxense
Predicted by Alphafold

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Reaxense

upacc

P04920

UPID:

B3A2_HUMAN

Alternative names:

Non-erythroid band 3-like protein; Solute carrier family 4 member 2

Alternative UPACC:

P04920; B2R6T0; B4DIT0; D3DX05; F8W682; Q45EY5; Q969L3

Background:

Anion exchange protein 2, also known as Non-erythroid band 3-like protein and Solute carrier family 4 member 2, is a sodium-independent anion exchanger. It facilitates the electroneutral exchange of chloride for bicarbonate ions across cell membranes, playing a pivotal role in osteoclast differentiation and function. This protein is crucial for bone resorption and the organization of the actin cytoskeleton in osteoclasts through anion exchange-dependent pH control. Additionally, it is essential for intracellular pH regulation in CD8(+) T-cells, influencing CD8(+) T-cell responses.

Therapeutic significance:

Understanding the role of Anion exchange protein 2 could open doors to potential therapeutic strategies, particularly in diseases related to bone density and immune system function.

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