Focused On-demand Library for Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Nicotinamide-nucleotide adenylyltransferase 3; Nicotinate-nucleotide adenylyltransferase 3; Pyridine nucleotide adenylyltransferase 3

Alternative UPACC:

Q96T66; B3KVR6; D3DNF2; D3DNF3; Q8N4G1


Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3, also known as Nicotinamide-nucleotide adenylyltransferase 3, plays a crucial role in NAD(+) biosynthesis. It efficiently catalyzes the conversion of nicotinamide mononucleotide (NMN) and ATP into NAD(+), alongside utilizing various substrates such as GTP and ITP. Its ability to reverse the reaction highlights its versatility in cellular metabolism.

Therapeutic significance:

Understanding the role of Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 could open doors to potential therapeutic strategies. Its fundamental role in NAD(+) biosynthesis and protection against axonal degeneration post-injury underscores its potential in neuroprotective therapies.

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