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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	CHEMBL417458
Molecular formula	C31H46N4O4S
IUPAC name	3-[2-(dimethylamino)ethylamino]-1-[(1S,2S)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2,5-dione
Molecular weight	570.793
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50285303 3-(2-dimethylaminoethylamino)-1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S)-bicyclo[2.2.1]hept-2-yl]tetrahydro-1H-2,5-pyrroledione
Inchi Key	COMZNWYUZVTMOW-PWUBUQNJSA-N
Inchi ID	InChI=1S/C31H46N4O4S/c1-29(2)23-10-12-31(29,26(19-23)35-27(36)20-25(28(35)37)32-15-18-33(3)4)21-40(38,39)34-16-13-30(14-17-34)11-9-22-7-5-6-8-24(22)30/h5-8,23,25-26,32H,9-21H2,1-4H3/t23?,25?,26-,31+/m0/s1
PubChem CID	44273346
ChEMBL	CHEMBL417458
IUPHAR	N/A
BindingDB	50285303
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
46798	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
46799	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
46800	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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