Focused On-demand Library for Baculoviral IAP repeat-containing protein 3

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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 screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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.

PARTNER
Receptor.AI
 
UPACC
Q13489

UPID:
BIRC3_HUMAN

ALTERNATIVE NAMES:
Apoptosis inhibitor 2; Cellular inhibitor of apoptosis 2; IAP homolog C; Inhibitor of apoptosis protein 1; RING finger protein 49; RING-type E3 ubiquitin transferase BIRC3; TNFR2-TRAF-signaling complex protein 1

ALTERNATIVE UPACC:
Q13489; Q16628; Q9HC27; Q9UP46

BACKGROUND:
The multifunctional Baculoviral IAP repeat-containing protein 3, also known as RING-type E3 ubiquitin transferase BIRC3, orchestrates a broad spectrum of biological processes. It acts as a guardian against apoptosis, influences inflammatory responses, and plays a role in cell proliferation and metastasis. By regulating NF-kappa-B signaling pathways and targeting proteins like RIPK2 and CASP8, it serves as a critical regulator of innate immunity and cellular survival mechanisms, highlighting its importance in maintaining cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Baculoviral IAP repeat-containing protein 3 unveils promising avenues for the development of innovative therapeutic approaches.

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