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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	M3P6S
Molecular formula	C22H27NO7S
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] 2,2-dimethylpropanoate
Molecular weight	449.518
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	-0.3
Synonyms	D0TH8E CHEMBL213228 SCHEMBL7668879
Inchi Key	NEUKRIIKAHFBFQ-JYSMHPMOSA-N
Inchi ID	InChI=1S/C22H27NO7S/c1-21(2,3)20(24)28-15-7-5-12-11-14-13-6-8-16(30-31(25,26)27)19-22(13,9-10-23(14)4)17(12)18(15)29-19/h5-8,13-14,16,19H,9-11H2,1-4H3,(H,25,26,27)/t13-,14+,16-,19-,22-/m0/s1
PubChem CID	21345766
ChEMBL	CHEMBL213228
IUPHAR	N/A
BindingDB	50189251
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
221564	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
221566	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
221565	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
221562	Nociceptin receptor	P47748	OPRL1	Cavia porcellus (Guinea pig)	370

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