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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	CHEMBL583083
Molecular formula	C31H39N3O6S2
IUPAC name	N-benzyl-1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]piperidin-4-amine
Molecular weight	613.788
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.3
Synonyms	N-benzyl-1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)piperidin-4-amine BDBM50299351
Inchi Key	NNEUOWNHFVADBM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H39N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h3-11,14-15,22,26-27,32H,12-13,16-21,23H2,1-2H3
PubChem CID	45483238
ChEMBL	CHEMBL583083
IUPHAR	N/A
BindingDB	50299351
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
227572	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
227570	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
227571	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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