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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	CHEMBL1084514
Molecular formula	C28H36N2O4
IUPAC name	ethyl 3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoate
Molecular weight	464.606
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.2
Synonyms	BDBM50318875 SCHEMBL3348397 (R)-ethyl 3-(4-cyano-3-(3-(1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-ylamino)-2-hydroxypropoxy)phenyl)propanoate
Inchi Key	DMWBVRRUBDZTBK-RUZDIDTESA-N
Inchi ID	InChI=1S/C28H36N2O4/c1-4-33-27(32)12-10-20-9-11-24(17-29)26(15-20)34-19-25(31)18-30-28(2,3)16-21-13-22-7-5-6-8-23(22)14-21/h5-9,11,15,21,25,30-31H,4,10,12-14,16,18-19H2,1-3H3/t25-/m1/s1
PubChem CID	10161939
ChEMBL	CHEMBL1084514
IUPHAR	N/A
BindingDB	50318875
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
64080	Extracellular calcium-sensing receptor	P41180	CASR	Homo sapiens (Human)	1078

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