Focused On-demand Libraries - Receptor.AI 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.


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 Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
O60909

UPID:
B4GT2_HUMAN

ALTERNATIVE NAMES:
Beta-N-acetylglucosaminyl-glycolipid beta-1,4-galactosyltransferase; Beta-N-acetylglucosaminylglycopeptide beta-1,4-galactosyltransferase; Lactose synthase A protein; N-acetyllactosamine synthase; Nal synthase; UDP-Gal:beta-GlcNAc beta-1,4-galactosyltransferase 2; UDP-galactose:beta-N-acetylglucosamine beta-1,4-galactosyltransferase 2

ALTERNATIVE UPACC:
O60909; B3KTP0; B4DE14; D3DPY6; D3DPY7; O60511; Q4V9L9; Q5T4X5; Q5T4Y5; Q9BUP6; Q9NSY7

BACKGROUND:
The enzyme Beta-1,4-galactosyltransferase 2 is crucial for the creation of complex-type N-linked oligosaccharides in glycoproteins and glycolipids' carbohydrate moieties. It also plays a role in lactose production. Known alternatively as UDP-Gal:beta-GlcNAc beta-1,4-galactosyltransferase 2, its function is integral to cellular and molecular biology, reflecting its importance across a wide range of physiological processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Beta-1,4-galactosyltransferase 2 offers a promising pathway towards identifying new therapeutic targets. Its central role in the biosynthesis of critical biomolecules makes it a significant focus for advancing medical research and treatment modalities.

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