Focused On-demand Library for Glycerophosphocholine cholinephosphodiesterase ENPP6

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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 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.







Alternative names:

Choline-specific glycerophosphodiester phosphodiesterase; Ectonucleotide pyrophosphatase/phosphodiesterase family member 6

Alternative UPACC:

Q6UWR7; Q4W5Q1; Q96M57


Glycerophosphocholine cholinephosphodiesterase ENPP6, also known as Choline-specific glycerophosphodiester phosphodiesterase, plays a crucial role in cellular choline supply by hydrolyzing glycerophosphocholine (GPC) and lysophosphatidylcholine (LPC). It exhibits a preference for LPC with short or polyunsaturated fatty acids, contributing significantly to cellular lipid metabolism and signaling.

Therapeutic significance:

Understanding the role of Glycerophosphocholine cholinephosphodiesterase ENPP6 could open doors to potential therapeutic strategies. Its pivotal function in choline metabolism and lipid signaling pathways suggests its potential as a target for therapeutic intervention in metabolic disorders.

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