AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 5-hydroxytryptamine receptor 1B

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.

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 receptors.

 Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential 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.

partner

Reaxense

upacc

P28222

UPID:

5HT1B_HUMAN

Alternative names:

S12; Serotonin 1D beta receptor; Serotonin receptor 1B

Alternative UPACC:

P28222; Q4VAY7

Background:

The 5-hydroxytryptamine receptor 1B, also known as Serotonin 1D beta receptor or S12, is a pivotal G-protein coupled receptor. It binds to serotonin, ergot alkaloid derivatives, and various psychoactive substances, including LSD. This receptor plays a crucial role in modulating neural activity, pain perception, mood, and behavior by regulating the release of neurotransmitters such as dopamine and acetylcholine in the brain.

Therapeutic significance:

Understanding the role of 5-hydroxytryptamine receptor 1B could open doors to potential therapeutic strategies.

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