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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	M3B6S
Molecular formula	C24H23NO7S
IUPAC name	[(4R,4aR,7S,7aR,12bS)-3-methyl-7-sulfooxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] benzoate
Molecular weight	469.508
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	-0.1
Synonyms	SCHEMBL7664620 D06YVE CHEMBL209751
Inchi Key	IQMPFHWIBSSPBS-MJFIPZRTSA-N
Inchi ID	InChI=1S/C24H23NO7S/c1-25-12-11-24-16-8-10-19(32-33(27,28)29)22(24)31-21-18(9-7-15(20(21)24)13-17(16)25)30-23(26)14-5-3-2-4-6-14/h2-10,16-17,19,22H,11-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
PubChem CID	12114744
ChEMBL	CHEMBL209751
IUPHAR	N/A
BindingDB	50189260
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
139418	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
139419	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
139417	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
139415	Nociceptin receptor	P47748	OPRL1	Cavia porcellus (Guinea pig)	370

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