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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	CHEMBL572921
Molecular formula	C26H30ClN3O4S3
IUPAC name	1-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methylsulfonyl]-N-(thiophen-2-ylmethyl)piperidin-4-amine
Molecular weight	580.173
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM50299344 1-((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methylsulfonyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
Inchi Key	NGRSBEOWJSJJPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H30ClN3O4S3/c27-21-8-11-25(12-9-21)37(33,34)30-23(10-7-20-4-1-2-6-26(20)30)19-36(31,32)29-15-13-22(14-16-29)28-18-24-5-3-17-35-24/h1-6,8-9,11-12,17,22-23,28H,7,10,13-16,18-19H2
PubChem CID	45483323
ChEMBL	CHEMBL572921
IUPHAR	N/A
BindingDB	50299344
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
222876	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
222874	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
222875	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425

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