Focused On-demand Library for Prostatic acid phosphatase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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

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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

5'-nucleotidase; Acid phosphatase 3; Ecto-5'-nucleotidase; Protein tyrosine phosphatase ACP3; Thiamine monophosphatase

Alternative UPACC:

P15309; D3DNC6; Q5FBY0; Q96KY0; Q96QK9; Q96QM0


Prostatic acid phosphatase, also known as Acid phosphatase 3, Ecto-5'-nucleotidase, and Protein tyrosine phosphatase ACP3, exhibits diverse functions including dephosphorylation of substrates under acidic conditions, lipid phosphatase activity, and inactivation of lysophosphatidic acid. It acts as a tumor suppressor in prostate cancer through dephosphorylation of ERBB2 and deactivation of MAPK-mediated signaling. Additionally, it has ecto-5'-nucleotidase activity in dorsal root ganglion neurons, generating adenosine from AMP, which acts as a pain suppressor.

Therapeutic significance:

Understanding the role of Prostatic acid phosphatase could open doors to potential therapeutic strategies, particularly in the context of prostate cancer suppression, pain management, and possibly in the modulation of HIV infection through its interaction with SEVI amyloid fibrils.

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