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.
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.
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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96JM7
UPID:
LMBL3_HUMAN
Alternative names:
MBT-1
Alternative UPACC:
Q96JM7; Q4VXE1; Q5VUM9; Q6P9B5
Background:
Lethal(3)malignant brain tumor-like protein 3 (MBT-1), encoded by the gene with the UniProt accession number Q96JM7, plays a crucial role in cellular processes. It acts as a negative regulator of Notch target genes, essential for RBPJ-mediated transcriptional repression. MBT-1 facilitates the recruitment of KDM1A to Notch-responsive elements, promoting H3K4me demethylation. Additionally, it regulates the ubiquitin-dependent degradation of methylated non-histone proteins, including SOX2, DNMT1, and E2F1, by serving as an adapter for the CRL4-DCAF5 E3 ubiquitin ligase complex. This protein is also vital for the normal maturation of myeloid progenitor cells.
Therapeutic significance:
Understanding the role of Lethal(3)malignant brain tumor-like protein 3 could open doors to potential therapeutic strategies.