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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	CHEMBL1259097
Molecular formula	C27H30N2S
IUPAC name	1-[3-(2,6-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	BDBM50328494 1-(8-(2,5-Dimethylphenyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
Inchi Key	KQRHCJXCCFJNQW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H30N2S/c1-19-7-6-8-20(2)27(19)22-11-12-26-23(17-22)24(29-15-13-28(3)14-16-29)18-21-9-4-5-10-25(21)30-26/h4-12,17,24H,13-16,18H2,1-3H3
PubChem CID	49781680
ChEMBL	CHEMBL1259097
IUPHAR	N/A
BindingDB	50328494
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
175842	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
175844	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
175843	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
175845	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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