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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	CHEMBL200312
Molecular formula	C26H31N3OS
IUPAC name	3-[[(2R)-2-[(1R)-2-[[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]pyrrolidin-1-yl]methyl]benzonitrile
Molecular weight	433.614
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.6
Synonyms	3-{[(2R)-2-[(1R)-2-{[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino}-1-hydroxyethyl]pyrrolidin-1-yl]methyl}benzonitrile GTPL711 BDBM50175363 1-arylmethylpyrrolidin-2-yl ethanol amine compound 26a [PMID: 16216508] 3-(((R)-2-((R)-2-(1-(benzo[b]thiophen-2-yl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)pyrrolidin-1-yl)methyl)benzonitrile D0I1GV [ Show all ]
Inchi Key	HCLQARMRCPEALF-DNQXCXABSA-N
Inchi ID	InChI=1S/C26H31N3OS/c1-26(2,15-22-14-21-9-3-4-11-25(21)31-22)28-17-24(30)23-10-6-12-29(23)18-20-8-5-7-19(13-20)16-27/h3-5,7-9,11,13-14,23-24,28,30H,6,10,12,15,17-18H2,1-2H3/t23-,24-/m1/s1
PubChem CID	44405854
ChEMBL	CHEMBL200312
IUPHAR	711
BindingDB	50175363
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
111422	Extracellular calcium-sensing receptor	P41180	CASR	Homo sapiens (Human)	1078
553806	Extracellular calcium-sensing receptor	P48442	Casr	Rattus norvegicus (Rat)	1079

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