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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	CHEMBL127049
Molecular formula	C25H32N2O3S
IUPAC name	2-[(1S,2S)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]acetonitrile
Molecular weight	440.602
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.1
Synonyms	BDBM50001390 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]hept-2-yl]acetonitrile
Inchi Key	AQSJOHFTCLAXDU-DUXSLQFZSA-N
Inchi ID	InChI=1S/C25H32N2O3S/c1-22(2)20-8-10-24(22,25(28,17-20)11-14-26)18-31(29,30)27-15-12-23(13-16-27)9-7-19-5-3-4-6-21(19)23/h3-7,9,20,28H,8,10-13,15-18H2,1-2H3/t20?,24-,25+/m0/s1
PubChem CID	44351251
ChEMBL	CHEMBL127049
IUPHAR	N/A
BindingDB	50001390
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
12065	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388

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