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 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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P29350
UPID:
PTN6_HUMAN
Alternative names:
Hematopoietic cell protein-tyrosine phosphatase; Protein-tyrosine phosphatase 1C; Protein-tyrosine phosphatase SHP-1; SH-PTP1
Alternative UPACC:
P29350; A8K306; G3V0F8; Q969V8; Q9UK67
Background:
Tyrosine-protein phosphatase non-receptor type 6, also known as Hematopoietic cell protein-tyrosine phosphatase, Protein-tyrosine phosphatase 1C, Protein-tyrosine phosphatase SHP-1, and SH-PTP1, plays a pivotal role in modulating signaling pathways initiated by tyrosine phosphorylated cell surface receptors such as KIT and EGFR. Its interaction with cellular components through SH2 regions and collaboration with MTUS1 to induce UBE2V2 expression upon angiotensin II stimulation underscores its significance in cellular signaling and hematopoiesis.
Therapeutic significance:
Understanding the role of Tyrosine-protein phosphatase non-receptor type 6 could open doors to potential therapeutic strategies.