Focused On-demand Library for CREB-binding protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

Histone lysine acetyltransferase CREBBP; Protein-lysine acetyltransferase CREBBP

Alternative UPACC:

Q92793; D3DUC9; O00147; Q16376; Q4LE28


The CREB-binding protein (CREBBP), also known as Histone lysine acetyltransferase CREBBP, plays a pivotal role in chromatin remodeling and transcriptional regulation. It achieves this by acetylating histones and non-histone proteins, thereby marking them for transcriptional activation. CREBBP's ability to bind specifically to phosphorylated CREB and enhance its transcriptional activity towards cAMP-responsive genes underscores its significance in cellular signaling pathways.

Therapeutic significance:

CREBBP is implicated in Rubinstein-Taybi syndrome 1 and Menke-Hennekam syndrome 1, both of which are characterized by developmental delays, craniofacial abnormalities, and growth deficiencies. Given its role in these genetic disorders, targeting CREBBP's acetylation pathways presents a promising avenue for therapeutic intervention, potentially offering new hope for patients suffering from these conditions.

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