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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

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	(-)-Emetine X8D5EPO80M 6',7',10,11-tetrakis(methyloxy)emetan Bio1_000834 CAS-483-18-1 cid_6603320 HSDB 2150 NCGC00024379-06 NCGC00024379-14 SR-01000000081-3 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 NSC 33669 Tox21_110901_1 483-18-1 BDBM50216297 BSPBio_000360 Emetan, 6',7',10,11-tetramethoxy- Emetine [BAN] NCGC00024379-04 NCGC00024379-12 SCHEMBL56277 (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 SR-01000000081-5 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 NSC33669 UNII-X8D5EPO80M 6'',7'',10,11-tetramethoxyemetan Bio1_000345 C09421 CHEMBL50588 Emetin GNF-PF-196 NCGC00024379-05 NCGC00024379-13 SR-01000000081 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 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 Prestwick3_000570 [ 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	6527.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	2642.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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