Molecules interacting with GNRHR

Gonadotropin-releasing hormone receptor is a G-protein coupled receptor encoded by the GNRHR gene.  It is expressed on the surface of pituitary gonadotrope cells as well as lymphocytes, breast, ovary, and prostate. Following binding of gonadotropin-releasing hormone, where activates a phosphatidylinositol-calcium second messenger system, which ultimately causes the release of gonadotropic luteinizing hormone (LH)

In ChEMBL, 313 predicted SARS active compounds interact with one single GNRHR target expressed in mammals. 

These 313 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 GNRHR active molecules. Most of them are GNRHR specific with limited interactions with few proteins. Ketoconazole is the only exception with more than 100 interactions recorded in ChEMBL. Colors by molecular cluster.

seeProteinNames

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