Focused On-demand Library for DNA polymerase kappa

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct 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 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:

DINB protein

Alternative UPACC:

Q9UBT6; B2RBD2; Q5Q9G5; Q5Q9G6; Q5Q9G7; Q5Q9G8; Q86VJ8; Q8IZY0; Q8IZY1; Q8NB30; Q96L01; Q96Q86; Q96Q87; Q9UHC5


DNA polymerase kappa, also known as DINB protein, plays a crucial role in DNA repair, specifically in translesion synthesis. This process is vital when high-fidelity DNA polymerases stall due to DNA damage. DNA polymerase kappa is adept at inserting the correct base during DNA synthesis, although it may lead to base transitions, transversions, and frameshifts due to its lack of 3'-5' proofreading exonuclease activity.

Therapeutic significance:

Understanding the role of DNA polymerase kappa could open doors to potential therapeutic strategies. Its unique ability to bypass DNA lesions makes it a target of interest in developing treatments for conditions arising from DNA repair defects.

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