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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	CHEMBL575972
Molecular formula	C28H34ClN3O4S3
IUPAC name	1-[3-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]propylsulfonyl]-N-(thiophen-2-ylmethyl)piperidin-4-amine
Molecular weight	608.227
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.0
Synonyms	1-(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)propylsulfonyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine BDBM50299346
Inchi Key	OJJXSTUFZUNQQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H34ClN3O4S3/c29-23-10-13-27(14-11-23)39(35,36)32-25(12-9-22-5-1-2-8-28(22)32)6-4-20-38(33,34)31-17-15-24(16-18-31)30-21-26-7-3-19-37-26/h1-3,5,7-8,10-11,13-14,19,24-25,30H,4,6,9,12,15-18,20-21H2
PubChem CID	45483183
ChEMBL	CHEMBL575972
IUPHAR	N/A
BindingDB	50299346
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
242834	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
242832	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
242833	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425

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