Focused On-demand Library for Hepatic sodium/bile acid cotransporter

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

Cell growth-inhibiting gene 29 protein; Na(+)/bile acid cotransporter; Na(+)/taurocholate transport protein; Sodium/taurocholate cotransporting polypeptide; Solute carrier family 10 member 1

Alternative UPACC:

Q14973; B9EGB6; Q2TU29


The Hepatic sodium/bile acid cotransporter, also known as Solute carrier family 10 member 1, plays a pivotal role in the enterohepatic circulation of bile salts. This process is essential for the solubilization and absorption of dietary fats and fat-soluble vitamins. The transporter exhibits broad substrate specificity, handling various bile acids and non-bile acid organic compounds. It operates in concert with other transporters to ensure efficient bile acid recycling.

Therapeutic significance:

Familial Hypercholanemia, 2, a metabolic disorder characterized by increased plasma levels of conjugated bile salts, underscores the clinical importance of this transporter. Understanding its function could lead to novel therapeutic strategies for managing this condition and improving fat malabsorption issues.

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