Focused On-demand Library for C-C chemokine receptor type 5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 receptors.

 Fig. 1. The sreening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.

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:

CHEMR13; HIV-1 fusion coreceptor

Alternative UPACC:

P51681; O14692; O14693; O14695; O14696; O14697; O14698; O14699; O14700; O14701; O14702; O14703; O14704; O14705; O14706; O14707; O14708; O15538; Q9UPA4


C-C chemokine receptor type 5 (CCR5) plays a pivotal role in mediating the response to inflammatory CC-chemokines such as CCL3/MIP-1-alpha, CCL4/MIP-1-beta, and RANTES, enhancing intracellular calcium ion levels. It is crucial in granulocytic lineage proliferation or differentiation and facilitates T-lymphocyte migration to infection sites.

Therapeutic significance:

CCR5's involvement in Type 1 diabetes mellitus 22, through gene variants affecting its expression, highlights its potential as a therapeutic target. Moreover, as a coreceptor for HIV-1, targeting CCR5 could lead to innovative treatments for HIV-1 infection, emphasizing its therapeutic significance.

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