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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	CHEMBL338409
Molecular formula	C28H39NO5S
IUPAC name	ethyl 2-[(1S,2S)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]propanoate
Molecular weight	501.682
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.2
Synonyms	BDBM50001339 ethyl 2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]hept-2-yl]propanoate
Inchi Key	DXJUYOVMVMIJTN-MKMSQJLMSA-N
Inchi ID	InChI=1S/C28H39NO5S/c1-5-34-24(30)20(2)28(31)18-22-11-13-27(28,25(22,3)4)19-35(32,33)29-16-14-26(15-17-29)12-10-21-8-6-7-9-23(21)26/h6-10,12,20,22,31H,5,11,13-19H2,1-4H3/t20?,22?,27-,28-/m0/s1
PubChem CID	44351248
ChEMBL	CHEMBL338409
IUPHAR	N/A
BindingDB	50001339
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
71354	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388

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