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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	CHEMBL1204403
Molecular formula	C31H46ClN3O6S2
IUPAC name	N-(cyclohexylmethyl)-1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]piperidin-4-amine;hydrochloride
Molecular weight	656.294
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	None
Synonyms	N/A
Inchi Key	JDYRDOWDSPAMCB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H45N3O6S2.ClH/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;/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3;1H
PubChem CID	52941704
ChEMBL	CHEMBL1204403
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
148610	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
148609	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
148612	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
148611	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
148613	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
148614	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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