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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	CHEMBL1259231
Molecular formula	C23H26N4S
IUPAC name	1-methyl-4-[3-(2-methylpyrazol-3-yl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Molecular weight	390.549
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM50328480 1-Methyl-4-(8-(1-methyl-1H-pyrazol-5-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine
Inchi Key	AJESKKMIWNWSBT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-24-26(20)2/h3-10,15,21H,11-14,16H2,1-2H3
PubChem CID	49781234
ChEMBL	CHEMBL1259231
IUPHAR	N/A
BindingDB	50328480
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
6839	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
6838	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
6841	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
6840	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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