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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	CHEMBL3925977
Molecular formula	C31H40N4O3
IUPAC name	8-[4-[2-[4-[3-(azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]quinoline-7-carboxylic acid
Molecular weight	516.686
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM50205365
Inchi Key	AUJBUPBEDOLIFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H40N4O3/c36-31(37)28-13-10-26-7-5-15-32-29(26)30(28)35-22-20-34(21-23-35)19-14-25-8-11-27(12-9-25)38-24-6-18-33-16-3-1-2-4-17-33/h5,7-13,15H,1-4,6,14,16-24H2,(H,36,37)
PubChem CID	134141385
ChEMBL	CHEMBL3925977
IUPHAR	N/A
BindingDB	50205365
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
548047	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
548048	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
548049	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
548046	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445

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