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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	CHEMBL575574
Molecular formula	C28H32ClN3O3S2
IUPAC name	3-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-1-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]propan-1-one
Molecular weight	558.152
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)-1-(4-(thiophen-2-ylmethylamino)piperidin-1-yl)propan-1-one BDBM50299336
Inchi Key	ZKUDYKATSJZZEJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H32ClN3O3S2/c29-22-8-12-26(13-9-22)37(34,35)32-24(10-7-21-4-1-2-6-27(21)32)11-14-28(33)31-17-15-23(16-18-31)30-20-25-5-3-19-36-25/h1-6,8-9,12-13,19,23-24,30H,7,10-11,14-18,20H2
PubChem CID	45483321
ChEMBL	CHEMBL575574
IUPHAR	N/A
BindingDB	50299336
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
430960	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
430961	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
430962	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425

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