Focused On-demand Library for Sulfotransferase 1A1

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening 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 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:

Aryl sulfotransferase 1; HAST1/HAST2; Phenol sulfotransferase 1; Phenol-sulfating phenol sulfotransferase 1; ST1A3; Thermostable phenol sulfotransferase

Alternative UPACC:

P50225; Q2NL71; Q86U58; Q92818; Q9BVU6; Q9UGG7


Sulfotransferase 1A1, known by alternative names such as Aryl sulfotransferase 1 and Phenol sulfotransferase 1, plays a crucial role in the metabolism of various compounds. It catalyzes the sulfate conjugation of molecules with hydroxyl or amine groups, enhancing their water solubility and renal excretion. This enzyme exhibits broad substrate specificity, impacting the metabolism of endogenous substances like steroid hormones and xenobiotics, including drugs like acetaminophen.

Therapeutic significance:

Understanding the role of Sulfotransferase 1A1 could open doors to potential therapeutic strategies. Its involvement in the metabolic activation of carcinogenic compounds and interaction with gut microbiota highlights its significance in drug metabolism and possibly in the modulation of gut flora for disease prevention.

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