Focused On-demand Library for COUP transcription factor 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening 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.







Alternative names:

Apolipoprotein A-I regulatory protein 1; COUP transcription factor II; Nuclear receptor subfamily 2 group F member 2

Alternative UPACC:

P24468; B4DQJ2; B6ZGU1; Q03754; Q3KQR7


COUP transcription factor 2, also known as Apolipoprotein A-I regulatory protein 1 and Nuclear receptor subfamily 2 group F member 2, is a ligand-activated transcription factor. It is activated by 9-cis-retinoic acid and all-trans-retinoic acid, playing a crucial role in the regulation of the apolipoprotein A-I gene transcription. This protein is pivotal in establishing ovary identity during early gonad development.

Therapeutic significance:

COUP transcription factor 2 is implicated in multiple congenital heart defects and 46,XX sex reversal 5, conditions stemming from gene variants. Understanding its role could unveil new therapeutic strategies for these genetic disorders.

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