ß-Arrestin/ß2-Adaptin Interaction Targeted Library
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ß-Arrestin/ß2-Adaptin Interaction Targeted Library

ß-Arrestin/ß2-Adaptin Interaction Targeted LibraryBeta-arrestins (ß-arrestin 1 and ß-arrestin 2) play central roles in the mechanisms regulating G protein-coupled receptors signalling and trafficking. They participate in agonist-mediated desensitization of GPCR and cause specific dampening of cellular responses to stimuli such as sensory signals, hormones or neurotransmitters [1].

OTAVAchemicals offers ß-Arrestin/ß2-Adaptin Interaction Targeted Library (1105 compounds in total). It is a special screening collection containing drug-like compounds with predicted inhibiting activity against ß-arrestin/ß2-adaptin interaction. The library has been accurately designed with two receptor-based approaches – molecular docking and pharmacophore screening.

Six pharmacophore models with different combinations of pharmacophore features and excluded volumes (on hydrogen atoms of the amino acid residues of the ß-arrestin binding site on the ß2-adaptin subunit of the clathrin adaptor protein AP2) were constructed using crystal structure of a complex between the ß2-adaptin ear domain of the AP2 and a C-terminal peptide of ß-arrestin (PDB ID: 2IV8) [2]. Pharmacophore screening of OTAVAchemicals Drug-like Green Collection was performed against these pharmacophore models and top-scored compounds were selected. Also this collection was docked in the same crystal and compounds were selected with docking score cut-off filtering, inspection of intermolecular hydrophobic contacts and hydrogen bonds with key residues of the ß-arrestin binding site.

This library provides an excellent basis for drug discovery projects related with ß-arrestins.


All compounds are in stock, cherry-picking is available.

The ß-Arrestin/ß2-Adaptin Interaction Targeted Library (DB, SD, XLS, PDF format) as well as the price-list is available on request. Feel free to contact us or use on-line form below to send an inquiry if you are interested to obtain this library or if you need more information.




The summary of the ß-Arrestin/ß2-Adaptin Interaction Targeted Library characteristics:

Molecular Weight Number of Rotatable Bonds Calculated logP Calculated logS PSA Fraction of Sp3-Hybridized Carbons Number of Hydrogen Bond Donors Number of Hydrogen Bond Acceptors Number of Rings Number of Aromatic RingsNumber of Halogen Atoms


  1. Alexandre Beautrait et al. A new inhibitor of the b-arrestin/AP2 endocytic complex reveals interplay between GPCR internalization and signalling. Nat Commun. 2017 Apr 18, 8:15054, doi: 10.1038/ncomms15054.
  2. Eva M Schmid , Marijn G. J Ford , Anne Burtey, Gerrit J. K Praefcke, Sew-Yeu Peak-Chew, Ian G Mills, Alexandre Benmerah, Harvey T McMahon. Role of the AP2 β-Appendage Hub in Recruiting Partners for Clathrin-Coated Vesicle Assembly. PLoS Biol. 2006, e262, doi: 10.1371/journal.pbio.0040262.

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