Focused On-demand Library for Sulfotransferase 1B1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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.







Alternative names:

Sulfotransferase 1B2; Sulfotransferase family cytosolic 1B member 1; Thyroid hormone sulfotransferase

Alternative UPACC:

O43704; O15497; Q96FI1; Q9UK34


Sulfotransferase 1B1, also known as Thyroid hormone sulfotransferase, plays a crucial role in the sulfate conjugation of various hormones and phenols, including dopamine and thyroid hormones. This enzyme utilizes 3'-phospho-5'-adenylyl sulfate as a sulfonate donor, highlighting its significance in metabolic processes. Its ability to sulfonate dietary and bacterial metabolites suggests a pivotal role in the gut microbiota-host metabolic interaction.

Therapeutic significance:

Understanding the role of Sulfotransferase 1B1 could open doors to potential therapeutic strategies. Its involvement in the regulation of oligodendrocyte maturation and myelination through the sulfonation of gut bacteria-derived metabolites indicates its potential impact on neurological development and function.

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