Focused On-demand Library for Solute carrier organic anion transporter family member 1B1

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.


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 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 enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q9Y6L6

UPID:
SO1B1_HUMAN

ALTERNATIVE NAMES:
Liver-specific organic anion transporter 1; OATP-C; Organic anion transporter SLC21A6; Sodium-independent organic anion-transporting polypeptide 2; Solute carrier family 21 member 6

ALTERNATIVE UPACC:
Q9Y6L6; B2R7G2; Q29R64; Q9NQ37; Q9UBF3; Q9UH89

BACKGROUND:
Solute carrier organic anion transporter family member 1B1, alternatively named OATP-C, is integral for the hepatic uptake of a wide range of organic anions. This includes not only endogenous substances like bile acids and thyroid hormones but also exogenous compounds such as various medications, highlighting its pivotal role in drug metabolism.

THERAPEUTIC SIGNIFICANCE:
The transporter's direct link to Hyperbilirubinemia, Rotor type, underscores its clinical importance. Harnessing knowledge about Solute carrier organic anion transporter family member 1B1's function could lead to innovative treatments for this and potentially other liver diseases.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 40 of 8789