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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	CHEMBL198604
Molecular formula	C34H49N3O2
IUPAC name	1'-(cyclooctylmethyl)-1-[3-[ethyl-[(4-methylphenyl)methyl]amino]-2-hydroxypropyl]spiro[indole-3,4'-piperidine]-2-one
Molecular weight	531.785
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.4
Synonyms	1''-cyclooctylmethyl-1-[3-ethyl(4-methylbenzyl)amino-2-hydroxypropyl]spiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one BDBM50173269 SCHEMBL13480081
Inchi Key	AYCGNXRJKLUATE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H49N3O2/c1-3-35(23-29-17-15-27(2)16-18-29)25-30(38)26-37-32-14-10-9-13-31(32)34(33(37)39)19-21-36(22-20-34)24-28-11-7-5-4-6-8-12-28/h9-10,13-18,28,30,38H,3-8,11-12,19-26H2,1-2H3
PubChem CID	15982791
ChEMBL	CHEMBL198604
IUPHAR	N/A
BindingDB	50173269
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
17325	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
17327	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
17326	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
17324	Nociceptin receptor	P41146	OPRL1	Homo sapiens (Human)	370

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