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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	CHEMBL1259080
Molecular formula	C27H30N2S
IUPAC name	1-[3-(2,3-dimethylphenyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine
Molecular weight	414.611
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.1
Synonyms	1-(8-(2,3-Dimethylphenyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine BDBM50328493
Inchi Key	ALJFHHUCGXIRIJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H30N2S/c1-19-7-6-9-23(20(19)2)21-11-12-27-24(17-21)25(29-15-13-28(3)14-16-29)18-22-8-4-5-10-26(22)30-27/h4-12,17,25H,13-16,18H2,1-3H3
PubChem CID	49781679
ChEMBL	CHEMBL1259080
IUPHAR	N/A
BindingDB	50328493
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
8313	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
8311	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
8314	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
8312	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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