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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	CHEMBL1259158
Molecular formula	C25H33N3OS
IUPAC name	2,2-dimethyl-N-[[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methyl]propanamide
Molecular weight	423.619
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.2
Synonyms	BDBM50328502 N-((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl)methyl)pivalamide
Inchi Key	CKLAPTDGXNWXQT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H33N3OS/c1-25(2,3)24(29)26-17-18-9-10-23-20(15-18)21(28-13-11-27(4)12-14-28)16-19-7-5-6-8-22(19)30-23/h5-10,15,21H,11-14,16-17H2,1-4H3,(H,26,29)
PubChem CID	49781894
ChEMBL	CHEMBL1259158
IUPHAR	N/A
BindingDB	50328502
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
44149	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
44148	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
44151	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
44150	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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