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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	CHEMBL126962
Molecular formula	C23H29NO3S
IUPAC name	(1S)-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-one
Molecular weight	399.549
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.7
Synonyms	(1S-enantiomer)7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,4R)-bicyclo[2.2.1]heptan-2-one BDBM50001397 SCHEMBL7291930 (1S)-1'-(((7,7-dimethyl-2-oxobicyclo(2.2.1) hept-1-yl)methyl)sulfonyl)spiro(1H-indene-1,4'-piperidine) AAIYKQCKJSUOEL-WBPHRXDCSA-N
Inchi Key	AAIYKQCKJSUOEL-WBPHRXDCSA-N
Inchi ID	InChI=1S/C23H29NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18H,8,10-16H2,1-2H3/t18?,23-/m1/s1
PubChem CID	44351086
ChEMBL	CHEMBL126962
IUPHAR	N/A
BindingDB	50001397
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
244	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388

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