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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	CHEMBL1259113
Molecular formula	C20H25N3S
IUPAC name	[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanamine
Molecular weight	339.501
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BDBM50328497 (11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl)methanamine
Inchi Key	JTFHPPAFIYXSHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
PubChem CID	52942381
ChEMBL	CHEMBL1259113
IUPHAR	N/A
BindingDB	50328497
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
159380	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
159381	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
159379	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
159378	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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