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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	CHEMBL339464
Molecular formula	C36H50N2O4S
IUPAC name	2-(1-adamantyl)-N-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]acetamide
Molecular weight	606.866
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	6.6
Synonyms	1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(1-adamantyl)acetamide BDBM50043133
Inchi Key	FBCFBFJNYGQCNM-LPNNTANXSA-N
Inchi ID	InChI=1S/C36H50N2O4S/c1-32(2)29-8-10-35(32,24-43(41,42)38-13-11-34(12-14-38)9-7-28-5-3-4-6-30(28)34)36(40,21-29)23-37-31(39)22-33-18-25-15-26(19-33)17-27(16-25)20-33/h3-7,9,25-27,29,40H,8,10-24H2,1-2H3,(H,37,39)/t25?,26?,27?,29-,33?,35+,36+/m1/s1
PubChem CID	44352473
ChEMBL	CHEMBL339464
IUPHAR	N/A
BindingDB	50043133
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
74045	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
74044	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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