Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


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
Receptor.AI
 
UPACC
P50549

UPID:
ETV1_HUMAN

ALTERNATIVE NAMES:
Ets-related protein 81

ALTERNATIVE UPACC:
P50549; A4D118; B2R768; B7Z2I4; B7Z618; B7Z9P2; C9JT37; E9PHB1; F5GXR2; O75849; Q4KMQ6; Q59GA7; Q6AI30; Q9UQ71; Q9Y636

BACKGROUND:
The protein ETS translocation variant 1, alternatively named Ets-related protein 81, functions as a transcriptional activator, recognizing DNA sequences with the consensus 5'-CGGA[AT]-3'. It is essential for the differentiation of olfactory dopaminergic neurons, suggesting a direct role in activating tyrosine hydroxylase expression.

THERAPEUTIC SIGNIFICANCE:
In the context of disease, ETS translocation variant 1 is involved in the development of Ewing sarcoma, characterized by a specific chromosomal translocation with EWSR1. The connection of this protein to such a critical and malignant disease underscores the importance of exploring ETS translocation variant 1 as a target for innovative therapeutic interventions.

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