Focused On-demand Library for Cytochrome P450 26A1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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 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:

Cytochrome P450 retinoic acid-inactivating 1; Retinoic acid 4-hydroxylase; Retinoic acid-metabolizing cytochrome

Alternative UPACC:

O43174; B3KNI4; Q5VXH9; Q5VXI0


Cytochrome P450 26A1, also known as Retinoic acid 4-hydroxylase, plays a pivotal role in the metabolism of retinoic acids, the active metabolites of vitamin A. It primarily catalyzes the hydroxylation of all-trans-retinoic acid (atRA) at specific sites, regulating atRA homeostasis and signaling. This enzyme's activity is crucial for maintaining the balance of biologically active isomers of retinoic acid, thereby influencing cellular processes and development.

Therapeutic significance:

Understanding the role of Cytochrome P450 26A1 could open doors to potential therapeutic strategies. Its involvement in the precise regulation of retinoic acid levels suggests its potential as a target in disorders related to vitamin A metabolism and signaling pathways.

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