AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Signal peptide, CUB and EGF-like domain-containing protein 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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.

partner

Reaxense

upacc

Q8IX30

UPID:

SCUB3_HUMAN

Alternative names:

-

Alternative UPACC:

Q8IX30; A8K5A3; Q5CZB3; Q86UZ9; Q8NAU9

Background:

Signal peptide, CUB and EGF-like domain-containing protein 3 plays a pivotal role in the BMP signaling pathway, essential for chondrogenesis, osteogenesis, and skeletal development. It acts as a coreceptor for BMP ligands, enhancing their interaction with BMP type I receptors. This protein's involvement in the TGFBR2 signaling pathway underscores its significance in epithelial-mesenchymal transition and cancer progression.

Therapeutic significance:

Given its crucial role in skeletal anomalies and potential involvement in cancer progression, targeting Signal peptide, CUB and EGF-like domain-containing protein 3 could offer novel therapeutic avenues for treating Short stature, facial dysmorphism, and skeletal anomalies with or without cardiac anomalies 2, as well as certain cancers.

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