Focused On-demand Library for Metalloreductase STEAP3

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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:

Dudulin-2; Six-transmembrane epithelial antigen of prostate 3; Tumor suppressor-activated pathway protein 6; pHyde

Alternative UPACC:

Q658P3; A8K6E3; Q4VBR2; Q4ZG36; Q53SQ8; Q7Z389; Q86SF6; Q8NEW6; Q8TDP3; Q8TF03; Q9NVB5


Metalloreductase STEAP3, also known as Dudulin-2, Six-transmembrane epithelial antigen of prostate 3, Tumor suppressor-activated pathway protein 6, and pHyde, plays a crucial role in iron and copper homeostasis. It functions as an endosomal ferrireductase, facilitating the transferrin-dependent uptake of iron in erythroid cells by reducing Fe(3+) to Fe(2+). Additionally, it can reduce Cu(2+) to Cu(1+), indicating its involvement in copper homeostasis. STEAP3 uses NADP(+) as an acceptor and may interact with p53/TP53 to link apoptosis and cell cycle progression. It is also indirectly involved in exosome secretion.

Therapeutic significance:

The association of Metalloreductase STEAP3 with Anemia, hypochromic microcytic, with iron overload 2, underscores its therapeutic significance. This disease is characterized by abnormal hemoglobin content, severe anemia, and massive hepatic iron deposition, pointing to the critical role of STEAP3 in erythroid iron homeostasis. Understanding the role of Metalloreductase STEAP3 could open doors to potential therapeutic strategies for managing iron-related disorders.

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