Focused On-demand Library for Estradiol 17-beta-dehydrogenase 11

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.

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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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:

17-beta-hydroxysteroid dehydrogenase 11; 17-beta-hydroxysteroid dehydrogenase XI; Cutaneous T-cell lymphoma-associated antigen HD-CL-03; Dehydrogenase/reductase SDR family member 8; Retinal short-chain dehydrogenase/reductase 2; Short chain dehydrogenase/reductase family 16C member 2

Alternative UPACC:

Q8NBQ5; Q96HF6; Q9UKU4


Estradiol 17-beta-dehydrogenase 11, also known as 17-beta-hydroxysteroid dehydrogenase 11, plays a crucial role in androgen metabolism during steroidogenesis. It converts androstan-3-alpha,17-beta-diol to androsterone, impacting steroid synthesis through metabolizing compounds or generating inhibitory metabolites. Despite its limited activity towards DHEA, A-dione, and testosterone, it is identified as a tumor-associated antigen in cutaneous T-cell lymphoma.

Therapeutic significance:

Understanding the role of Estradiol 17-beta-dehydrogenase 11 could open doors to potential therapeutic strategies, especially in the context of its involvement in androgen metabolism and its association with cutaneous T-cell lymphoma.

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