Focused On-demand Library for E3 ubiquitin-protein ligase Arkadia

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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.

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

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.







Alternative names:

RING finger protein 111; RING-type E3 ubiquitin transferase Arkadia

Alternative UPACC:

Q6ZNA4; C9JUS4; H0YN55; Q6P9A4; Q6ZMU2; Q7L428; Q7Z346; Q8N1P9; Q8WUA3; Q9NSR1


E3 ubiquitin-protein ligase Arkadia, also known as RING finger protein 111, plays a pivotal role in cellular processes by mediating ubiquitination and degradation of SMAD inhibitors, thus enhancing the transcriptional activity of TGF-beta and BMP. It is essential for mesoderm patterning during embryonic development and activates SMAD3/SMAD4-dependent transcription. Arkadia's interaction with UBE2D2 and its ability to bind polysumoylated chains underscore its significance in protein regulation.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase Arkadia could open doors to potential therapeutic strategies.

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