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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	DM3B6S
Molecular formula	C24H25NO7S
IUPAC name	[(4R,4aR,7S,7aR,12bS)-3-methyl-7-sulfooxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] benzoate
Molecular weight	471.524
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	0.9
Synonyms	CHEMBL213737 SCHEMBL7669030 D0IC5F
Inchi Key	YEYZQNSVGVDYOU-MJFIPZRTSA-N
Inchi ID	InChI=1S/C24H25NO7S/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/h2-7,9,16-17,19,22H,8,10-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
PubChem CID	21345767
ChEMBL	CHEMBL213737
IUPHAR	N/A
BindingDB	50189253
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
408506	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
408505	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
408503	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
408504	Nociceptin receptor	P47748	OPRL1	Cavia porcellus (Guinea pig)	370

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