Focused On-demand Library for Krev interaction trapped protein 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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.

Our high-tech, dedicated method is applied to construct 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.

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:

Cerebral cavernous malformations 1 protein

Alternative UPACC:

O00522; A6NNU0; O43894; Q506L6; Q6U276; Q75N19; Q9H180; Q9H264; Q9HAX5


Krev interaction trapped protein 1, also known as Cerebral cavernous malformations 1 protein, plays a pivotal role in the CCM signaling pathway, crucial for heart and vessel formation and integrity. It acts as a negative regulator of angiogenesis, influencing endothelial proliferation, apoptosis, migration, and sprouting angiogenesis. The protein is involved in various signaling cascades, including AKT phosphorylation and the DELTA-NOTCH cascade, contributing to vascular lumen stability and endothelial cell polarity.

Therapeutic significance:

Given its central role in cerebral cavernous malformations 1, a condition leading to hemorrhagic stroke and seizures, Krev interaction trapped protein 1 presents a promising target for therapeutic intervention. Understanding its function could pave the way for novel treatments aimed at mitigating the vascular anomalies associated with this disease.

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