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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	CHEMBL335886
Molecular formula	C34H48N3O6S+
IUPAC name	methyl 3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]methylcarbamoyl]-1-azoniabicyclo[2.2.2]octane-1-carboxylate
Molecular weight	626.833
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50043106 methyl 3-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethylcarbamoyl]-1-azoniabicyclo[2.2.2]octane-1-carboxylate
Inchi Key	BFZIIEHECQVPQB-CXNPKWBMSA-O
Inchi ID	InChI=1S/C34H47N3O6S/c1-31(2)26-9-13-33(31,23-44(41,42)36-16-14-32(15-17-36)12-8-25-6-4-5-7-28(25)32)34(40,20-26)22-35-29(38)27-21-37(30(39)43-3)18-10-24(27)11-19-37/h4-8,12,24,26-27,40H,9-11,13-23H2,1-3H3/p+1/t24?,26-,27?,33+,34+,37?/m1/s1
PubChem CID	44352363
ChEMBL	CHEMBL335886
IUPHAR	N/A
BindingDB	50043106
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
22762	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
22763	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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