Molecules interacting with P2X7

P2X7R, P2X7 receptor or  P2X purinoceptor 7, is a protein that in humans is encoded by the P2RX7 gene. The P2X7 receptor is a ligand-gated cation channel that opens in response to ATP binding and leads to cell depolarization.

In ChEMBL, 98 predicted SARS active compounds interact with three different P2X7 proteins expressed several mammalian species. 

These 98 compounds have been classified in many different chemical clusters from the chemical clustering carried out with the 64k total predicted active molecules.

Molecular interactions of all P2X7 active molecules. Most of them are P2X7 specific with limited interactions with few proteins.

ChEMBL molecule registry number (molregnos) labels have been removed in the networks to facilitate visualization of interactions. Only known drugs and protein names remain.

Colors by molecular cluster. Click on the charts to expand.

seeProteinNames

All predicted SARS active molecules have been clustered by their structural analogy. The tree map shows most representative P2X7 molecular clusters attending to the number of molecules interacting with P2X7 (P2X7 elements in the tree map 3rd level hierarchy) and the P2X7 specificity, calculated as P2X7 elements /clusterSize.

These clusters are highlighted in the scatter plot representing SARS predicted or actual potency vs total number of molecules per cluster.

The box plot represents the distribution of SARS score for each cluster.

See below compound structures

Schema of annotations associated to each structure