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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	CHEMBL572709
Molecular formula	C31H45N3O6S2
IUPAC name	N-(cyclohexylmethyl)-1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]piperidin-4-amine
Molecular weight	619.836
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	5.2
Synonyms	BDBM50299342 N-(cyclohexylmethyl)-1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)piperidin-4-amine
Inchi Key	XQDRFXUPGZPPOW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H45N3O6S2/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
PubChem CID	45483204
ChEMBL	CHEMBL572709
IUPHAR	N/A
BindingDB	50299342
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
398261	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
398264	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
398266	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
398262	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
398263	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
398265	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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