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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	CHEMBL2017867
Molecular formula	C31H38IN3O6S
IUPAC name	1-[1-[2-[2-[(E)-3-iodoprop-2-enoxy]-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight	707.624
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.8
Synonyms	BDBM50380758
Inchi Key	ZJWAEMNLDJQLSS-SYZQJQIISA-N
Inchi ID	InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+
PubChem CID	70685417
ChEMBL	CHEMBL2017867
IUPHAR	N/A
BindingDB	50380758
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
430240	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
430237	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
430241	Vasopressin V1a receptor	Q9WTV9	Avpr1a	Microtus ochrogaster (Prairie vole)	420
430238	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
430239	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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