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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	38.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	14.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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