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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	CHEMBL575773
Molecular formula	C29H34ClN3O3S2
IUPAC name	4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-1-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]butan-1-one
Molecular weight	572.179
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.2
Synonyms	4-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)-1-(4-(thiophen-2-ylmethylamino)piperidin-1-yl)butan-1-one BDBM50299337
Inchi Key	KNKJQCHFWAWCLO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H34ClN3O3S2/c30-23-11-14-27(15-12-23)38(35,36)33-25(13-10-22-5-1-2-8-28(22)33)6-3-9-29(34)32-18-16-24(17-19-32)31-21-26-7-4-20-37-26/h1-2,4-5,7-8,11-12,14-15,20,24-25,31H,3,6,9-10,13,16-19,21H2
PubChem CID	45483182
ChEMBL	CHEMBL575773
IUPHAR	N/A
BindingDB	50299337
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
173439	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
173437	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
173438	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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