Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96IU4
UPID:
ABHEB_HUMAN
Alternative names:
Alpha/beta hydrolase domain-containing protein 14B; CCG1-interacting factor B
Alternative UPACC:
Q96IU4; Q86VK8; Q8N8W5
Background:
Putative protein-lysine deacylase ABHD14B, also known as Alpha/beta hydrolase domain-containing protein 14B and CCG1-interacting factor B, exhibits atypical protein-lysine deacetylase activity in vitro. It catalyzes the deacetylation of lysine residues, generating acetyl-CoA and free amine, with a preference for pNp-acetate substrates. This protein may also play a role in transcription activation.
Therapeutic significance:
Understanding the role of Putative protein-lysine deacylase ABHD14B could open doors to potential therapeutic strategies.