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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	THEBAINE
Molecular formula	C19H21NO3
IUPAC name	(4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Molecular weight	311.381
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.2
Synonyms	BDBM224032 DEA No. 9333 Kodein SCHEMBL37580 Tox21_111751 115-37-7 CAS-115-37-7 DSSTox_RID_81337 Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5alpha)- Thebaine 0.1 mg/ml in Methanol UNII-2P9MKG8GX7 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan AKOS003672654 CHEMBL403893 FQXXSQDCDRQNQE-VMDGZTHMSA-N Paramorphine Thebaine, powder (5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan C-19280 DSSTox_CID_26099 LS-92171 Thebain Tox21_112863 3-O-Methyl-oripavin CHEBI:9519 DTXSID7046099 NCGC00160239-01 Thebaine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material ZINC53199482 AN-5352 D0O2LD FT-0631658 SCHEMBL19880976 Thenaine (5R,9R,13S)-4,5-Epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien C06173 DSSTox_GSID_46099 Morphinan, 6,7,8,14-tetradehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl- UNII-1M5VY6ITRT component FQXXSQDCDRQNQE-VMDGZTHMSA-N 2P9MKG8GX7 4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien EINECS 204-084-1 NCGC00247709-01 Thebaine, European Pharmacopoeia (EP) Reference Standard (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline [ Show all ]
Inchi Key	FQXXSQDCDRQNQE-VMDGZTHMSA-N
Inchi ID	InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
PubChem CID	5324289
ChEMBL	CHEMBL403893
IUPHAR	N/A
BindingDB	224032
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
524002	Mas-related G-protein coupled receptor member X2	Q96LB1	MRGPRX2	Homo sapiens (Human)	330
85187	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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