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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	CHEMBL128388
Molecular formula	C28H41N3O3S
IUPAC name	1-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-3-(methylamino)pyrrolidin-2-one
Molecular weight	499.714
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50043202 1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3-methylaminotetrahydro-1H-2-pyrrolone
Inchi Key	CKXVTFJGNRLOKF-XFSSTXOUSA-N
Inchi ID	InChI=1S/C28H41N3O3S/c1-26(2)21-9-12-28(26,24(18-21)31-15-10-23(29-3)25(31)32)19-35(33,34)30-16-13-27(14-17-30)11-8-20-6-4-5-7-22(20)27/h4-7,21,23-24,29H,8-19H2,1-3H3/t21-,23?,24+,28-/m1/s1
PubChem CID	10391259
ChEMBL	CHEMBL128388
IUPHAR	N/A
BindingDB	50043202
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
44503	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
44502	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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