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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NP58
UPID:
ABCB6_HUMAN
Alternative names:
ABC-type heme transporter ABCB6; Mitochondrial ABC transporter 3; P-glycoprotein-related protein; Ubiquitously-expressed mammalian ABC half transporter
Alternative UPACC:
Q9NP58; O75542; Q49A66; Q59GQ5; Q6ZME6; Q96ME8; Q9HAQ6; Q9HAQ7
Background:
ATP-binding cassette sub-family B member 6 (ABCB6) is a pivotal ATP-dependent transporter, facilitating the movement of porphyrins across cellular membranes and contributing to heme biosynthesis and iron homeostasis. Its roles extend to melanogenesis, where it is crucial in the early steps, and providing cellular resistance against various toxic substances, including heavy metals and chemotherapeutic agents.
Therapeutic significance:
ABCB6 is linked to diseases such as Microphthalmia, isolated, with coloboma, 7, Dyschromatosis universalis hereditaria 3, and Pseudohyperkalemia, familial, 2, due to red cell leak. Understanding the role of ABCB6 could open doors to potential therapeutic strategies for these conditions, highlighting its importance in medical research.