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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q92551
UPID:
IP6K1_HUMAN
Alternative names:
Inositol hexaphosphate kinase 1
Alternative UPACC:
Q92551; A8K157; A8MUX4; Q7L3I7; Q96E38
Background:
Inositol hexakisphosphate kinase 1, also known as Inositol hexaphosphate kinase 1, plays a crucial role in cellular processes by converting inositol hexakisphosphate (InsP6) to diphosphoinositol pentakisphosphate (InsP7/PP-InsP5) and 1,3,4,5,6-pentakisphosphate (InsP5) to PP-InsP4. This enzymatic activity is pivotal in regulating the cellular levels of inositol polyphosphates, compounds known for their involvement in signal transduction and energy storage.
Therapeutic significance:
Understanding the role of Inositol hexakisphosphate kinase 1 could open doors to potential therapeutic strategies. Its involvement in key cellular processes underscores its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.