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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	CHEMBL108076
Molecular formula	C24H33N3O2
IUPAC name	(4aR,8aS)-N,N-diethyl-8a-(3-hydroxyphenyl)-3,6-dimethyl-4,4a,5,7,8,9-hexahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide
Molecular weight	395.547
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.8
Synonyms	(4aR,8aS)-8a-(3-Hydroxy-phenyl)-3,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinoline-2-carboxylic acid diethylamide BDBM50061063 SCHEMBL7488697 3,6-Dimethyl-N,N-diethyl-4,4aalpha,5,6,7,8,8a,9-octahydro-8abeta-(3-hydroxyphenyl)-1H-pyrrolo[2,3-g]isoquinoline-2-carboxamide
Inchi Key	DLMLWLMTUDAVSC-MHECFPHRSA-N
Inchi ID	InChI=1S/C24H33N3O2/c1-5-27(6-2)23(29)22-16(3)20-13-18-15-26(4)11-10-24(18,14-21(20)25-22)17-8-7-9-19(28)12-17/h7-9,12,18,25,28H,5-6,10-11,13-15H2,1-4H3/t18-,24+/m0/s1
PubChem CID	11795010
ChEMBL	CHEMBL108076
IUPHAR	N/A
BindingDB	50061063
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
63111	Delta-type opioid receptor	P32300	Oprd1	Mus musculus (Mouse)	372
63110	Kappa-type opioid receptor	P33534	Oprk1	Mus musculus (Mouse)	380
63109	Mu-type opioid receptor	P42866	Oprm1	Mus musculus (Mouse)	398

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