Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
We use our state-of-the-art dedicated workflow for designing focused 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
P21127
UPID:
CD11B_HUMAN
Alternative names:
Cell division cycle 2-like protein kinase 1; Cell division protein kinase 11B; Galactosyltransferase-associated protein kinase p58/GTA; PITSLRE serine/threonine-protein kinase CDC2L1; p58 CLK-1
Alternative UPACC:
P21127; B7ZVY7; J3KTL7; J3QR29; J3QR44; O95265; Q12817; Q12818; Q12819; Q12820; Q12822; Q8N530; Q9NZS5; Q9UBJ0; Q9UBQ1; Q9UBR0; Q9UNY2; Q9UP57; Q9UP58; Q9UP59
Background:
Cyclin-dependent kinase 11B, known by alternative names such as Cell division cycle 2-like protein kinase 1 and PITSLRE serine/threonine-protein kinase CDC2L1, plays a pivotal role in cell cycle progression, cytokinesis, and apoptosis. It is also involved in pre-mRNA splicing through kinase activity-dependent mechanisms. Notably, isoform 7 of this protein may serve as a negative regulator of normal cell cycle progression, highlighting its complex regulatory functions.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 11B could open doors to potential therapeutic strategies. Its involvement in critical cellular processes such as cell cycle progression and apoptosis makes it a promising target for drug discovery efforts aimed at treating diseases characterized by abnormal cell growth and division.