Focused On-demand Libraries - Receptor.AI 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.


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 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 use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


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
Receptor.AI
 
UPACC
P15882

UPID:
CHIN_HUMAN

ALTERNATIVE NAMES:
A-chimaerin; Alpha-chimerin; N-chimerin; Rho GTPase-activating protein 2

ALTERNATIVE UPACC:
P15882; A8K1M6; B3KNU6; B4DV19; Q53SD6; Q53SH5; Q96FB0

BACKGROUND:
The protein N-chimaerin, also referred to as Alpha-chimerin or Rho GTPase-activating protein 2, is integral to the development of neuronal circuits. It functions as a GTPase-activating protein for p21-rac and is a receptor for phorbol esters. Its role as a direct effector of EPHA4 in axon guidance is crucial for the proper assembly of neuronal locomotor circuits.

THERAPEUTIC SIGNIFICANCE:
Given its link to Duane retraction syndrome 2, a disorder characterized by abnormal eye movement due to cranial nerve development issues, N-chimaerin is of significant therapeutic interest. Exploring the functions of N-chimaerin could lead to innovative treatments for this syndrome, which can cause permanent vision loss if left untreated in children.

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