Focused On-demand Library for PAT complex subunit CCDC47

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

Q96A33

UPID:

CCD47_HUMAN

Alternative names:

Calumin; Coiled-coil domain-containing protein 47

Alternative UPACC:

Q96A33; B2RAS8; D3DU20; Q96D00; Q96JZ7; Q9H3E4; Q9NRG3

Background:

PAT complex subunit CCDC47, also known as Calumin or Coiled-coil domain-containing protein 47, plays a crucial role in protein insertion into the lipid bilayer of membranes. It is part of the multi-pass translocon (MPT) complex, succeeding the SEC61 complex in membrane protein insertion. CCDC47 is instrumental in sequestering highly polar regions of transmembrane domains, regulating calcium ion homeostasis in the ER, and is essential for ER organization during embryogenesis.

Therapeutic significance:

CCDC47's involvement in Trichohepatoneurodevelopmental syndrome, a disorder characterized by diverse symptoms including liver dysfunction and developmental delay, underscores its potential as a target for therapeutic intervention. Understanding the role of CCDC47 could open doors to potential therapeutic strategies.