Focused On-demand Library for Cytochrome P450 11B1, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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:

CYPXIB1; Cytochrome P-450c11; Steroid 11-beta-hydroxylase, CYP11B1

Alternative UPACC:

P15538; Q14095; Q4VAQ8; Q4VAQ9; Q9UML2


Cytochrome P450 11B1, mitochondrial, also known as CYPXIB1, plays a pivotal role in adrenal corticoid biosynthesis. It catalyzes the hydroxylation of key steroids, facilitating the production of cortisol and corticosterone, crucial for stress response and metabolic regulation. Its activity involves intricate electron transfer via FDXR and FDX1 or FDX2, highlighting a complex interaction within the mitochondrial matrix.

Therapeutic significance:

Linked to congenital adrenal hyperplasia and familial hyperaldosteronism, Cytochrome P450 11B1's dysfunction underscores its clinical relevance. Understanding its enzymatic mechanisms offers a pathway to targeted therapies, potentially correcting steroid imbalances and mitigating disease phenotypes.

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