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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	CHEMBL607068
Molecular formula	C26H25N3O6
IUPAC name	(E)-N-[(4R,4aS,7aR,12bR)-9-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight	475.501
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.7
Synonyms	BDBM50456193 3-Hydroxy-14-[(p-nitrocinnamoyl)amino]-17-methyl-4,5alpha-epoxymorphinan-6-one
Inchi Key	PMHKQZZWOMGKBX-IAYRCESESA-N
Inchi ID	InChI=1S/C26H25N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-9,20,24,30H,10-14H2,1H3,(H,27,32)/b9-4+/t20-,24+,25+,26-/m1/s1
PubChem CID	46878245
ChEMBL	CHEMBL607068
IUPHAR	N/A
BindingDB	50456193
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
263253	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
263252	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
263251	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401
263254	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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