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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	CHEMBL1080674
Molecular formula	C17H21NO2
IUPAC name	[(9aS)-2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]azepin-9-yl]-(2-hydroxy-6-methylphenyl)methanone
Molecular weight	271.36
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50313167 (S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]azepin-9-yl)(2-hydroxy-6-methylphenyl)methanone
Inchi Key	AZCMQMPXFQYKKJ-AWEZNQCLSA-N
Inchi ID	InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1
PubChem CID	46865104
ChEMBL	CHEMBL1080674
IUPHAR	N/A
BindingDB	50313167
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
18023	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
18025	Kappa-type opioid receptor	P34975	Oprk1	Rattus norvegicus (Rat)	380
18024	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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