Focused On-demand Library for Programmed cell death 1 ligand 1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

B7 homolog 1

Alternative UPACC:

Q9NZQ7; B2RBA2; B4DU27; Q14CJ2; Q2V8D5; Q66RK1; Q6WEX4; Q9NUZ5


Programmed cell death 1 ligand 1 (PD-L1), also known as B7 homolog 1, plays a pivotal role in the induction and maintenance of immune tolerance. It serves as a ligand for the inhibitory receptor PDCD1/PD-1, modulating T-cell activation thresholds and limiting effector responses. Additionally, PD-L1 may activate T-cell subsets that predominantly produce interleukin-10 (IL10), although the specific activating receptor remains unidentified.

Therapeutic significance:

The PD-L1/PDCD1 pathway is crucial for tumor cells to evade immune destruction, highlighting its significance in cancer immunotherapy. Blocking this pathway rejuvenates exhausted T-cells, normalizing anti-tumor responses and offering a promising strategy for treating various cancers.

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