Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O95302
UPID:
FKBP9_HUMAN
Alternative names:
63 kDa FK506-binding protein; FK506-binding protein 9; Rotamase
Alternative UPACC:
O95302; B3KY35; B7Z1G9; B7Z6H3; Q2M2A1; Q3MIR7; Q6IN76; Q6P2N1; Q96EX5; Q96IJ9
Background:
Peptidyl-prolyl cis-trans isomerase FKBP9, also known as 63 kDa FK506-binding protein, FK506-binding protein 9, and Rotamase, plays a crucial role in protein synthesis. It accelerates the folding of proteins, a fundamental process for cellular function and integrity.
Therapeutic significance:
Understanding the role of Peptidyl-prolyl cis-trans isomerase FKBP9 could open doors to potential therapeutic strategies. Its pivotal function in protein folding highlights its importance in maintaining cellular health and presents a unique target for drug discovery.