Focused On-demand Library for ABC-type oligopeptide transporter ABCB9

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9NP78

UPID:

ABCB9_HUMAN

Alternative names:

ATP-binding cassette sub-family B member 9; ATP-binding cassette transporter 9; TAP-like protein

Alternative UPACC:

Q9NP78; B4E2J0; Q5W9G7; Q769F3; Q769F4; Q96AB1; Q9P208

Background:

The ABC-type oligopeptide transporter ABCB9, also known as ATP-binding cassette sub-family B member 9, plays a crucial role in cellular processes by transporting a wide range of peptides from the cytosol to the lysosomal lumen for degradation. It has a broad peptide length specificity, efficiently translocating peptides ranging from 6 to at least 59 amino acids, with an optimal length of 23 amino acids. ABCB9 shows a preference for peptides with positively charged, aromatic, or hydrophobic residues at their termini.

Therapeutic significance:

Understanding the role of ABCB9 could open doors to potential therapeutic strategies.