Focused On-demand Library for Sterol O-acyltransferase 1

Available from Reaxense
Predicted by Alphafold

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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.







Alternative names:

Acyl-coenzyme A:cholesterol acyltransferase 1; Cholesterol acyltransferase 1

Alternative UPACC:

P35610; A6NC40; A8K3P4; A9Z1V7; B4DU95; Q5T0X4; Q8N1E4


Sterol O-acyltransferase 1, also known as Acyl-coenzyme A:cholesterol acyltransferase 1 and Cholesterol acyltransferase 1, plays a pivotal role in lipid metabolism. It catalyzes the formation of fatty acid-cholesterol esters, crucial for maintaining membrane fluidity and facilitating lipoprotein assembly. This enzyme exhibits a preference for oleoyl-CoA as a substrate, highlighting its specificity in lipid processing.

Therapeutic significance:

Understanding the role of Sterol O-acyltransferase 1 could open doors to potential therapeutic strategies. Its involvement in cholesterol absorption and lipoprotein assembly positions it as a key target for addressing dyslipidemia and atherosclerosis, offering a pathway to novel treatments.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.