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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	CHEMBL128398
Molecular formula	C28H38N4O3S
IUPAC name	N-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2-imidazol-1-ylacetamide
Molecular weight	510.697
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50043100 1N-[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]-2-(1H-1-imidazolyl)acetamide
Inchi Key	CCXMZTSJGNBYIC-ZXDNMGRFSA-N
Inchi ID	InChI=1S/C28H38N4O3S/c1-26(2)22-8-10-28(26,24(17-22)30-25(33)18-31-16-13-29-20-31)19-36(34,35)32-14-11-27(12-15-32)9-7-21-5-3-4-6-23(21)27/h3-6,13,16,20,22,24H,7-12,14-15,17-19H2,1-2H3,(H,30,33)/t22-,24+,28-/m1/s1
PubChem CID	11756081
ChEMBL	CHEMBL128398
IUPHAR	N/A
BindingDB	50043100
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
39034	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
39033	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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