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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	EMETINE
Molecular formula	C29H40N2O4
IUPAC name	(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Molecular weight	480.649
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.7
Synonyms	NSC33669 TCMDC-125531 2H-Benzo(a)quinolizine, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl)- AUVVAXYIELKVAI-CKBKHPSWSA-N BRD-K03067624-300-02-9 Cephaline-O-methyl ether DTXSID5022980 Emetine hydrochloride, European Pharmacopoeia (EP) Reference Standard Methyl cephaeline NCGC00024379-10 SR-01000000081 UNII-X8D5EPO80M 6'',7'',10,11-tetramethoxyemetan Bio1_000345 C09421 CHEMBL50588 Emetin GNF-PF-196 NCGC00024379-05 NCGC00024379-13 SR-01000075853 (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride 6',7',10,11-Tetramethoxyemetan BPBio1_000396 CCG-204552 DSSTox_GSID_22980 Emetine dihydrochloride hydrate Lopac0_000460 NCGC00024379-08 NCI60_002959 Prestwick3_000570 Tox21_110901 316-42-7 (di-hydrochloride) BDBM38871 BRN 0100829 CHEBI:4781 EINECS 207-592-1 Emetine hydrochloride, United States Pharmacopeia (USP) Reference Standard Methylcephaeline NCGC00024379-11 SR-01000000081-3 (-)-Emetine X8D5EPO80M 6',7',10,11-tetrakis(methyloxy)emetan Bio1_000834 CAS-483-18-1 cid_6603320 HSDB 2150 NCGC00024379-06 NCGC00024379-14 NSC 33669 SR-01000075853-5 (2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methyl]-2H-benzo[a]quinolizine. AC1L1UQE BRD-K03067624-001-01-5 Cephaeline methyl ether DSSTox_RID_76816 Emetine hydrochloride LS-40213 NCGC00024379-09 SCHEMBL56277 Tox21_110901_1 483-18-1 BDBM50216297 BSPBio_000360 Emetan, 6',7',10,11-tetramethoxy- Emetine [BAN] NCGC00024379-04 NCGC00024379-12 SR-01000000081-5 (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine ZINC3830747 6',7',10,11-Tetramethoxy-emetan Bio1_001323 CBiol_002059 DSSTox_CID_2980 Emetine (>90%) Ipecine NCGC00024379-07 NCGC00024379-16 [ Show all ]
Inchi Key	AUVVAXYIELKVAI-CKBKHPSWSA-N
Inchi ID	InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
PubChem CID	10219
ChEMBL	CHEMBL50588
IUPHAR	N/A
BindingDB	N/A
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
442232	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
15010	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
15013	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
15012	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462

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