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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	orphenadrine
Molecular formula	C18H23NO
IUPAC name	N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
Molecular weight	269.388
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.8
Synonyms	Orphenadrine(INN) dimethyl{2-[(2-methylphenyl)phenylmethoxy]ethyl}amine Prestwick1_000239 Ethylamine, N,N-dimethyl-2-((o-methyl-.alpha.-phenylbenzyl)oxy)- SPBio_002238 KBio2_001525 LS-68148 Mialgin (TN) N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine Antiflex NCGC00015771-06 BPBio1_000349 NINDS_000853 BS-5930 Orfro CHEMBL900 Orphenate DivK1c_000853 QVYRGXJJSLMXQH-UHFFFAOYSA-N GTPL7251 Spectrum4_000460 KBio3_001641 Mefenamine 2-(Phenyl-o-tolylmethoxy)ethyldimethylamine Myotrol AB00053510-19 N,N-Dimethyl-2-[(o-methyl-.alpha.-phenylbenzyl)oxy]ethylamine BDBM50062614 NCGC00015771-10 BRN 1885151 o-Methyldiphenhydramine C07935 Orphenadinum Orphenadrine (INN) dimethyl-2[alpha-(o-tolyl)benzyloxy]ethylamine Phenyl-o-tolylmethyl dimethylaminoethyl ether Ethanamine, N,N-dimethyl-2-((2-methylphenyl)phenylmethoxy)- Sodium Mefenamine Invagesic ST50406606 L001253 Mephenamine (Salt/Mix) 4-06-00-04727 (Beilstein Handbook Reference) N,N-Dimethyl-2-(o-methyl-alpha-phenylbenzyl)oxy)ethylamine AC1L1IJ4 NCGC00015771-03 Biorphen NCGC00089814-03 Brocasipal (Salt/Mix) Orfenadrina CHEBI:7789 D08305 Orphenadrinum Disipal Prestwick2_000239 Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)- Spectrum2_001038 KBio2_004093 Lysantin Mio-Rel 83-98-7 N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine # API0000039 NCGC00015771-07 BRD-A53576514-003-03-1 Norflex Orphenadrine Citrate BSPBio_000317 ORP DB01173 Orphenedrine DTXSID3023396 SBI-0050859.P004 HSDB 3139 Spectrum5_001036 KBioGR_000880 Mephenamin (TN) 2-Methyldiphenhydramine N,N-Dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamin AB00053510_20 N,N-Dimethyl-2-[(o-methyl-alpha-phenylbenzyl)oxy]ethylamine beta-Dimethylaminoethyl 2-methylbenzhydryl ether NCGC00015771-12 Brocadisipal o-Monomethyldiphenhydramine CBDivE_006102 Orphenadrin Orphenadrine [INN:BAN] Dimethyl-[2-(phenyl-o-tolyl-methoxy)-ethyl]-amine Prestwick0_000239 Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]- SPBio_001255 KBio1_000853 WS 2434 Lopac0_000884 Methyldiphenylhydramine 4682-36-4 (citrate) N,N-dimethyl-2-(phenyl(o-tolyl)methoxy)ethanamine AKOS027379368 NCGC00015771-05 Biorphen (TN) NCGC00089814-05 Brocasipal (TN) Orfenadrina [INN-Spanish] D0D9FV Orphenadrinum [INN-Latin] Disipal (TN) Prestwick3_000239 Flexon (TN) Spectrum3_000531 KBio2_006661 MCULE-7320950210 .beta.-Dimethylaminoethyl 2-methylbenzhydryl ether Myolin AB00053510 N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine Banflex (TN) NCGC00015771-09 BRD-A53576514-048-06-9 Norgesic BSPBio_002141 Orphenadine dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine Phenyl-o-tolylmethyl dimethyaminoethyl ether EINECS 201-509-2 SCHEMBL28727 IDI1_000853 Spectrum_001045 KBioSS_001525 Mephenamine 341-69-5 (hydrochloride) N,N-dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamine AB00053510_21 N,N-dimethyl-2-{[(2-methylphenyl)(phenyl)methyl]oxy}ethanamine beta-Dimethylaminoethyl-2-methylbenzhydryl ether NCGC00089814-02 Brocasipal Oprea1_476547 CCG-204966 [ Show all ]
Inchi Key	QVYRGXJJSLMXQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
PubChem CID	4601
ChEMBL	CHEMBL900
IUPHAR	N/A
BindingDB	50062614
DrugBank	DB01173
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2156.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	809.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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