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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	CHEMBL1259112
Molecular formula	C20H21N3S
IUPAC name	5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile
Molecular weight	335.469
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	AKOS005065389 11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepine-2-carbonitrile AC1L1RUX BDBM50328496 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile Cyanothepin AC1Q4RWU 11-(4-methyl-1-piperazinyl)-10,11-dihydrodibenzo[b,f]thiepine-2-carbonitrile [ Show all ]
Inchi Key	PSBWDCHOGUBLQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3
PubChem CID	34580
ChEMBL	CHEMBL1259112
IUPHAR	N/A
BindingDB	50328496
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
267429	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
267428	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
267430	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
267427	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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