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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	CHEMBL1259129
Molecular formula	C22H26N6S
IUPAC name	1-methyl-4-[3-[(1-methyltetrazol-5-yl)methyl]-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Molecular weight	406.552
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50328499 1-Methyl-4-[8-(1-methyl-1H-tetrazol-5-ylmethyl)-10,11-dihydrodibenzo-[b,f]thiepin-10-yl]piperazine
Inchi Key	AKYWUMKVNYAANP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-24-25-27(22)2/h3-8,13,19H,9-12,14-15H2,1-2H3
PubChem CID	49781891
ChEMBL	CHEMBL1259129
IUPHAR	N/A
BindingDB	50328499
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
8040	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
8039	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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