Focused On-demand Library for Cytochrome P450 2C18

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening 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.

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.







Alternative names:

CYPIIC18; Cytochrome P450-6b/29c

Alternative UPACC:

P33260; B2R8K2; Q16703; Q16751; Q4VAT5; Q6GRG1


Cytochrome P450 2C18, known alternatively as CYPIIC18 or Cytochrome P450-6b/29c, plays a crucial role in retinoid metabolism. This enzyme, a cytochrome P450 monooxygenase, is responsible for hydroxylating all-trans-retinoic acid (atRA) into 4-hydroxyretinoate. It functions by inserting one oxygen atom into a substrate and reducing the second into a water molecule, utilizing two electrons provided by NADPH via cytochrome P450 reductase.

Therapeutic significance:

Understanding the role of Cytochrome P450 2C18 could open doors to potential therapeutic strategies by modulating atRA signaling and clearance, pivotal in numerous physiological processes.

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