Focused On-demand Library for Endothelin receptor type B

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.

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P24530

UPID:

EDNRB_HUMAN

Alternative names:

Endothelin receptor non-selective type

Alternative UPACC:

P24530; A2A2Z8; A8K3T4; O15343; Q59GB1; Q5W0G9; Q8NHM6; Q8NHM7; Q8NHM8; Q8NHM9; Q9UD23; Q9UQK3

Background:

Endothelin receptor type B, alternatively known as Endothelin receptor non-selective type, is a pivotal protein encoded by the gene with accession number P24530. It functions as a non-specific receptor for endothelin 1, 2, and 3, mediating its action through G proteins that activate a phosphatidylinositol-calcium second messenger system. This receptor plays a crucial role in various physiological processes.

Therapeutic significance:

The protein is implicated in several diseases, including Waardenburg syndrome 4A, characterized by depigmentation, deafness, and Hirschsprung disease; Hirschsprung disease 2, a major cause of congenital intestinal obstruction; and ABCD syndrome, involving albinism, deafness, and aganglionosis of the intestine. These associations highlight the protein's potential as a target for therapeutic interventions in these genetic disorders.