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.
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 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P06239
UPID:
LCK_HUMAN
Alternative names:
Leukocyte C-terminal Src kinase; Lymphocyte cell-specific protein-tyrosine kinase; Protein YT16; Proto-oncogene Lck; T cell-specific protein-tyrosine kinase; p56-LCK
Alternative UPACC:
P06239; D3DPP8; P07100; Q12850; Q13152; Q5TDH8; Q5TDH9; Q7RTZ3; Q96DW4; Q9NYT8
Background:
Tyrosine-protein kinase Lck, also known as p56-LCK, plays a pivotal role in T-cell development and activation. It is involved in the signal transduction pathways linked to the T-cell receptor (TCR), contributing to the maturation of developing T-cells in the thymus and the function of mature T-cells. Lck phosphorylates key tyrosine residues, initiating the TCR/CD3 signaling pathway, essential for lymphokine production and T-cell proliferation.
Therapeutic significance:
Given its crucial role in T-cell function, Lck is implicated in Immunodeficiency 22, a disease characterized by T-cell dysfunction, lymphopenia, and recurrent infections. Targeting Lck offers a promising strategy for therapeutic intervention in T-cell related disorders, potentially restoring immune system functionality and providing relief for affected individuals.