Focused On-demand Library for C2 domain-containing protein 3

Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q4AC94

UPID:
C2CD3_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q4AC94; C9JR55; E2QRD1; Q2NLE1; Q3C1U9; Q6ZU92; Q8IYM4; Q8NB87; Q8NDH7; Q9Y4M2

BACKGROUND:
The C2 domain-containing protein 3 is integral to centriole and cilium structure and function, promoting centriole elongation and the assembly of centriolar distal appendages. This protein's activity is vital for sonic hedgehog signaling and the proteolytic processing of GLI3, underscoring its importance in cellular signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Its association with Orofaciodigital syndrome 14, a disorder marked by significant developmental anomalies, underscores the therapeutic potential of targeting C2 domain-containing protein 3 in disease treatment and management.

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