AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Type II inositol 1,4,5-trisphosphate 5-phosphatase

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

Our top-notch dedicated system is used to design specialised 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 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.

partner

Reaxense

upacc

P32019

UPID:

I5P2_HUMAN

Alternative names:

75 kDa inositol polyphosphate-5-phosphatase; Phosphoinositide 5-phosphatase

Alternative UPACC:

P32019; C9J6U5; Q5VSG9; Q5VSH0; Q5VSH1; Q658Q5; Q6P6D4; Q6PD53; Q86YE1

Background:

The Type II inositol 1,4,5-trisphosphate 5-phosphatase, also known as a 75 kDa inositol polyphosphate-5-phosphatase or Phosphoinositide 5-phosphatase, plays a crucial role in cellular signaling. It hydrolyzes phosphatidylinositol 4,5-bisphosphate (PtIns(4,5)P2) and phosphatidylinositol 1,4,5-trisphosphate (PtIns(1,4,5)P3), key molecules in intracellular signal transduction pathways.

Therapeutic significance:

Understanding the role of Type II inositol 1,4,5-trisphosphate 5-phosphatase could open doors to potential therapeutic strategies. Its pivotal function in modulating cellular signaling events positions it as a significant target for drug discovery efforts aimed at regulating cellular processes.

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