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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	CHEMBL1259042
Molecular formula	C23H24N4S
IUPAC name	5-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]pyrimidine
Molecular weight	388.533
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.6
Synonyms	BDBM50328488 5-(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl)pyrimidine
Inchi Key	FVJVBIJJZNFQKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24N4S/c1-26-8-10-27(11-9-26)21-13-18-4-2-3-5-22(18)28-23-7-6-17(12-20(21)23)19-14-24-16-25-15-19/h2-7,12,14-16,21H,8-11,13H2,1H3
PubChem CID	49781452
ChEMBL	CHEMBL1259042
IUPHAR	N/A
BindingDB	50328488
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
88219	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
88222	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
88220	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
88221	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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