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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL458516
Molecular formula	C28H27N5O6
IUPAC name	2-(1,3-benzodioxol-5-ylmethylamino)-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
Molecular weight	529.553
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.0
Synonyms	trisubstituted pyrimidine analogue, 11m 2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide BDBM28012
Inchi Key	ACUIVHWRXISZPQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H27N5O6/c1-35-24-11-9-20(27(32-24)36-2)25-21(26(34)29-12-13-37-19-6-4-3-5-7-19)16-31-28(33-25)30-15-18-8-10-22-23(14-18)39-17-38-22/h3-11,14,16H,12-13,15,17H2,1-2H3,(H,29,34)(H,30,31,33)
PubChem CID	25218729
ChEMBL	CHEMBL458516
IUPHAR	N/A
BindingDB	28012
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
1943	Extracellular calcium-sensing receptor	P41180	CASR	Homo sapiens (Human)	1078

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