Focused On-demand Library for Phospholipid-transporting ATPase ABCA3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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:

ABC-C transporter; ATP-binding cassette sub-family A member 3; ATP-binding cassette transporter 3; Xenobiotic-transporting ATPase ABCA3

Alternative UPACC:

Q99758; B2RU09; Q54A95; Q6P5P9; Q92473


Phospholipid-transporting ATPase ABCA3, also known as ABC-C transporter, plays a crucial role in the transport of phospholipids into lamellar bodies, essential for pulmonary surfactant homeostasis. It preferentially transports phosphatidylcholine with short acyl chains and acts as an efflux transporter for miltefosine and free cholesterol, safeguarding cells from toxicity.

Therapeutic significance:

The protein's malfunction is linked to Pulmonary surfactant metabolism dysfunction 3, a rare lung disorder characterized by severe respiratory distress due to alveolar filling with excessive lipoproteins. Understanding the role of Phospholipid-transporting ATPase ABCA3 could open doors to potential therapeutic strategies for this condition.

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