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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	M3IBu6S
Molecular formula	C21H25NO7S
IUPAC name	[(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-methylpropanoyloxy)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] sulfate
Molecular weight	435.491
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	-0.8
Synonyms	CHEMBL211576 BDBM50189249
Inchi Key	GABBKMMVICEZHE-AYHJQLAQSA-N
Inchi ID	InChI=1S/C21H25NO7S/c1-11(2)20(23)27-15-6-4-12-10-14-13-5-7-16(29-30(24,25)26)19-21(13,8-9-22(14)3)17(12)18(15)28-19/h4-7,11,13-14,16,19H,8-10H2,1-3H3,(H,24,25,26)/t13-,14+,16-,19-,21-/m0/s1
PubChem CID	44414863
ChEMBL	CHEMBL211576
IUPHAR	N/A
BindingDB	50189249
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
91422	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
91421	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
91419	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
91420	Nociceptin receptor	P47748	OPRL1	Cavia porcellus (Guinea pig)	370

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