Focused On-demand Library for Corrinoid adenosyltransferase MMAB

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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:

ATP:co(I)rrinoid adenosyltransferase MMAB; Methylmalonic aciduria type B protein

Alternative UPACC:

Q96EY8; C5HU05; Q9BSH0


Corrinoid adenosyltransferase MMAB, also known as ATP:co(I)rrinoid adenosyltransferase and Methylmalonic aciduria type B protein, plays a pivotal role in vitamin B12 metabolism. It converts cob(I)alamin into adenosylcobalamin (AdoCbl), a crucial coenzyme for methylmalonyl-CoA mutase. This process is essential for the final step of vitamin B12 conversion, highlighting the protein's significance in metabolic pathways.

Therapeutic significance:

Given its critical role in the metabolism of methylmalonate and cobalamin, MMAB is directly linked to Methylmalonic aciduria type cblB, a metabolic disorder. Understanding the function of Corrinoid adenosyltransferase MMAB could open doors to potential therapeutic strategies for treating this condition by targeting the underlying genetic variants.

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