Focused On-demand Library for Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

Sulfurylase kinase 1

Alternative UPACC:

O43252; O43841; O75332; Q6IAX6; Q96FB1; Q96TF4; Q9P1P9; Q9UE98


Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1, also known as Sulfurylase kinase 1, plays a pivotal role in the sulfate activation pathway. This enzyme exhibits both ATP sulfurylase and APS kinase activity, facilitating the synthesis of adenosine 5'-phosphosulfate (APS) and 3'-phosphoadenylylsulfate (PAPS), the latter being the sole source of sulfate in mammals. PAPS is crucial for the biosynthesis of sulfated L-selectin ligands in endothelial cells, highlighting its importance in cellular functions.

Therapeutic significance:

Understanding the role of Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 could open doors to potential therapeutic strategies.

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