Focused On-demand Library for Phosphatidylcholine translocator ABCB4

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.

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.

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.

Our top-notch dedicated system is used to design specialised 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:

ATP-binding cassette sub-family B member 4; Multidrug resistance protein 3; P-glycoprotein 3

Alternative UPACC:

P21439; A0A2V7; A4D1D3; A4D1D4; A4D1D5; D6W5P3; D6W5P4; Q14813


Phosphatidylcholine translocator ABCB4, also known as ATP-binding cassette sub-family B member 4, plays a crucial role in biliary lipid secretion. It functions as a floppase, translocating phosphatidylcholine across the canalicular membrane, thereby facilitating bile formation and protecting the biliary tree from bile salts.

Therapeutic significance:

ABCB4 is implicated in several liver diseases, including progressive familial intrahepatic cholestasis type 3 and intrahepatic cholestasis of pregnancy. Its role in these conditions highlights its potential as a target for therapeutic intervention to alleviate cholestasis and improve liver function.

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