Focused On-demand Library for Endothelin receptor type B

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 utilise our cutting-edge, exclusive workflow to develop 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises 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.