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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	CHEMBL577816
Molecular formula	C27H30ClN3O4S2
IUPAC name	[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
Molecular weight	560.124
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.9
Synonyms	(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate BDBM50299334
Inchi Key	WYNIZCUIDXTOCU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H30ClN3O4S2/c28-21-8-11-25(12-9-21)37(33,34)31-23(10-7-20-4-1-2-6-26(20)31)19-35-27(32)30-15-13-22(14-16-30)29-18-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2
PubChem CID	45483300
ChEMBL	CHEMBL577816
IUPHAR	N/A
BindingDB	50299334
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
385529	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
385527	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
385528	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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