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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	CHEMBL128124
Molecular formula	C24H34N2O3S
IUPAC name	(1S,2R,4R)-2-(aminomethyl)-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)bicyclo[2.2.1]heptan-2-ol
Molecular weight	430.607
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.9
Synonyms	2-aminomethyl-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-yl alcohol BDBM50043089
Inchi Key	DKSALKIFWFBTCZ-YGOYIFOWSA-N
Inchi ID	InChI=1S/C24H34N2O3S/c1-21(2)19-8-10-23(21,24(27,15-19)16-25)17-30(28,29)26-13-11-22(12-14-26)9-7-18-5-3-4-6-20(18)22/h3-7,9,19,27H,8,10-17,25H2,1-2H3/t19-,23+,24+/m1/s1
PubChem CID	10455392
ChEMBL	CHEMBL128124
IUPHAR	N/A
BindingDB	50043089
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
62559	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
62560	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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