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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13572
UPID:
ITPK1_HUMAN
Alternative names:
Inositol 1,3,4-trisphosphate 5/6-kinase
Alternative UPACC:
Q13572; Q9BTL6; Q9H2E7
Background:
The Inositol-tetrakisphosphate 1-kinase, also known as Inositol 1,3,4-trisphosphate 5/6-kinase, plays a pivotal role in cellular processes by phosphorylating various inositol polyphosphates. This enzyme is crucial in the regulation of intracellular calcium levels and the modulation of plasma membrane Ca(2+)-activated Cl(-) channels through its product Ins(1,3,4,5,6)P5. Additionally, it contributes to the hexakisphosphate (InsP6) pathway, essential for cellular functions.
Therapeutic significance:
Understanding the role of Inositol-tetrakisphosphate 1-kinase could open doors to potential therapeutic strategies.