Focused On-demand Library for Serine/threonine-protein kinase ULK3

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.

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.

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.

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:

Unc-51-like kinase 3

Alternative UPACC:

Q6PHR2; B2RXK3; B4DFT0; B4DRQ7; D3DW68; Q9NPN5; Q9UFS4


Serine/threonine-protein kinase ULK3, also known as Unc-51-like kinase 3, plays a pivotal role in cellular processes by acting as a regulator of Sonic hedgehog (SHH) signaling and autophagy. It serves as a negative regulator of SHH signaling in the absence of SHH ligand through interaction with SUFU, inhibiting protein kinase activity and GLI proteins phosphorylation. Conversely, in the presence of SHH, ULK3 promotes SHH signaling by dissociating from SUFU, undergoing autophosphorylation, and facilitating GLI2 phosphorylation, which activates and translocates it to the nucleus.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase ULK3 could open doors to potential therapeutic strategies.

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