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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q13418
UPID:
ILK_HUMAN
Alternative names:
59 kDa serine/threonine-protein kinase; Beta-integrin-linked kinase; ILK-1; ILK-2; p59ILK
Alternative UPACC:
Q13418; B7Z1I0; B7Z418; D3DQU0; P57043; Q68DZ3
Background:
Integrin-linked protein kinase (ILK) is a pivotal mediator in integrin-mediated signal transduction, influencing cell architecture, adhesion, and growth in epithelial cells. As a receptor-proximal protein kinase, ILK regulates integrin signaling, impacting cell motility through its interaction with PARVB. It phosphorylates beta-1 and beta-3 integrin subunits, AKT1, and GSK3B, playing a critical role in the ILK-PINCH complex, a key node in integrin and growth factor signaling pathways.
Therapeutic significance:
Understanding the role of Integrin-linked protein kinase could open doors to potential therapeutic strategies.