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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	GTPL9883
Molecular formula	C28H38N4O
IUPAC name	(E)-N-(oxan-4-yl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
Molecular weight	446.639
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.0
Synonyms	SCHEMBL20482753 compound 46c [PMID: 29350534]
Inchi Key	QPAGOTNPJABYCP-FITNPZAZSA-N
Inchi ID	InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1
PubChem CID	133081963
ChEMBL	N/A
IUPHAR	9883
BindingDB	N/A
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
554684	C-X-C chemokine receptor type 4	P70658	Cxcr4	Mus musculus (Mouse)	359
554685	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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