Focused On-demand Library for ETS translocation variant 1

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.

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 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 sreening 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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:

ETS translocation variant 1, also known as Ets-related protein 81, is a transcriptional activator that binds to DNA sequences featuring the consensus pentanucleotide 5'-CGGA[AT]-3'. It plays a crucial role in olfactory dopaminergic neuron differentiation, potentially activating the expression of tyrosine hydroxylase, a key enzyme in dopamine synthesis.

Therapeutic significance:

ETS translocation variant 1 is implicated in the pathogenesis of Ewing sarcoma, a highly malignant tumor affecting children and adolescents. The protein's involvement is marked by a chromosomal aberration, specifically translocation t(7;22)(p22;q12) with EWSR1. Understanding the role of ETS translocation variant 1 could open doors to potential therapeutic strategies for this aggressive cancer.