Supporting information


A structural chemogenomics analysis of aminergic GPCRs
Lessons for histamine receptor ligand design

Publication: British Journal of Pharmacology

The supporting information for this article contains a comprehensive overview of all site-directed mutagenesis studies performed against HRH1, HRH2, HRH3, HRH4, DRD3, ACM2, ACM3, ADRB1 and ADRB2 (aminergic GPCRs). In total 1420 reported single-point mutations were registered (including their effect on the binding affinity of reported ligands) at 128 individual B&W positions. 

We have updated this comprehensive overview and incorporated ChEMBL identifiers for each of the ligands, the ligand structure in SMILES format and PUBMED identifiers. This update makes it easier to link the ligands to known activity/affinity data (ChEMBL), investigate the ligand structure, and to go back to the original publication in which the mutation data was published (PUBMED). 

The updated overview is available here.