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GPCR

Name	Alpha-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

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	BRD-K03067624-300-02-9 Cephaline-O-methyl ether DTXSID5022980 Emetine hydrochloride, European Pharmacopoeia (EP) Reference Standard Methyl cephaeline NCGC00024379-10 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 Bio1_000345 C09421 CHEMBL50588 Emetin GNF-PF-196 NCGC00024379-05 NCGC00024379-13 SR-01000000081 UNII-X8D5EPO80M 6'',7'',10,11-tetramethoxyemetan BPBio1_000396 CCG-204552 DSSTox_GSID_22980 Emetine dihydrochloride hydrate Lopac0_000460 NCGC00024379-08 NCI60_002959 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 BDBM38871 BRN 0100829 CHEBI:4781 EINECS 207-592-1 Emetine hydrochloride, United States Pharmacopeia (USP) Reference Standard Methylcephaeline NCGC00024379-11 Prestwick3_000570 Tox21_110901 316-42-7 (di-hydrochloride) Bio1_000834 CAS-483-18-1 cid_6603320 HSDB 2150 NCGC00024379-06 NCGC00024379-14 SR-01000000081-3 (-)-Emetine X8D5EPO80M 6',7',10,11-tetrakis(methyloxy)emetan BRD-K03067624-001-01-5 Cephaeline methyl ether DSSTox_RID_76816 Emetine hydrochloride LS-40213 NCGC00024379-09 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 BDBM50216297 BSPBio_000360 Emetan, 6',7',10,11-tetramethoxy- Emetine [BAN] NCGC00024379-04 NCGC00024379-12 SCHEMBL56277 Tox21_110901_1 483-18-1 Bio1_001323 CBiol_002059 DSSTox_CID_2980 Emetine (>90%) Ipecine NCGC00024379-07 NCGC00024379-16 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 [ 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	182.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	26.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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