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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	VERAPAMIL
Molecular formula	C27H38N2O4
IUPAC name	2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Molecular weight	454.611
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	Geangin Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)- IDI1_033983 Bio2_000233 BSPBio_001513 (R)-(+)-Verapamil Hydrochloride Calan SR 1394-EP2277865A1 CCRIS 6749 1394-EP2301923A1 Covera-HS (Salt/Mix) 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile CTK8D7130 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile Dignover AB00053495-20 DTXSID9041152 alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile SCHEMBL16742 Spectrum5_001786 Isotopin Vasolan KBio2_005369 Verapamil [USAN:INN:BAN] KBioSS_000233 Verelan MolPort-000-721-258 NCGC00016083-11 NCGC00024710-04 NINDS_000399 Prestwick1_000141 Ansyr HMS1989L15 Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, (+-)- Isoptin BP-21223 (+/-)-VERAPAMIL C07188 1394-EP2270011A1 Cardibeltin 1394-EP2298742A1 CHEMBL6966 1394-EP2305648A1 CP 16533-1 (Verapamil) 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-isopropylpentanenitrile # D02356 52V114 dl-Verapamil AC1L1DV5 F2173-0851 Quasar SMR001550201 Tarka KBio1_000399 KBio3_000466 Verapamilo [INN-Spanish] Lekoptin Verexamil NCGC00016083-06 NCGC00016083-15 NCGC00024710-07 NSC 272306NA FT-0080127 Arpamyl I06-0063 Bio1_000914 BRD-A09533288-003-05-6 (?)-alpha-[3-[[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino]propyl]-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile Calan (Salt/Mix) 1394-EP2272973A1 CC-35584 1394-EP2298776A1 Cordilox (Salt/Mix) 1394-EP2316833A1 CP-165331 36622-29-4 DB00661 DSSTox_GSID_41152 AKOS005468962 SC-17292 Spectrum2_001740 Isoptin SR Univer KBio2_002801 Verapamil AL KBioGR_001372 Veraptin MCULE-3016077278 NCGC00016083-09 NCGC00016083-18 NCGC00344584-01 Nu-Verap GTPL2406 Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)- Iproveratril Bio2_000713 (+-)-Verapamil BSPBio_002358 .alpha.-((N-Methyl-N-homoveratryl)-.gamma.-aminopropyl)-3,4-dimethoxyphenylacetonitrile Calcan 1394-EP2277872A1 CHEBI:77733 1394-EP2301931A1 Covera-hs (TN) 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile D 365 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile Dilacoran AB00053495_21 EINECS 200-145-1 alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile Prestwick2_000141 Securon ST50826367 Izoptin Veracim KBio2_007479 VERAPAMIL, Dexverapamil, Verapamyl hydrochloride, VERAPAMIL HYDROCHLORIDE KBioSS_002346 Verelan (TN) NCGC00016083-04 NCGC00016083-13 NCGC00024710-05 Novo-Veramil API0004584 HMS2089H17 Berkatens BPBio1_000268 (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile C27H38N2O4 1394-EP2272841A1 CAS-52-53-9 1394-EP2298764A1 cMAP_000023 1394-EP2314585A1 CP-16,533-1 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile D0R0FE 56949-77-0 Drosteakard Akilen Falicard r,s-verapamil SPBio_001820 Isoptin (Salt/Mix) Tox21_110300 KBio2_000233 Verapamil (Na-Ca chanel blocker) KBio3_002823 Verapamilum Lopac0_001237 Verpamil NCGC00016083-07 NCGC00016083-16 NCGC00024710-08 NSC272366 FT-0603225 BDBM81939 IDI1_000399 Bio1_001403 BSPBio_000242 (A+/-)-Verapamil hydrochloride Calan (TN) 1394-EP2275420A1 CCG-205311 1394-EP2298779A1 Covera-HS 2-(3,4-Dimethoxyphenyl)-5-((2-(3,4-dimethoxyphenyl)ethyl)(methyl)amino)-2-isopropylpentanenitrile, (+/-)- CP-165331 / CP-16533-1 5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile delta-365 AB00053495 DSSTox_RID_79636 alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile SCHEMBL13287282 Spectrum4_000906 Isoptine Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl- KBio2_004911 Verapamil [USAN:BAN:INN] KBioGR_002343 vera\|A MLS006011414 NCGC00016083-10 NCGC00016083-20 NCI60_020143 Prestwick0_000141 HMS1791L15 Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)- Isoptimo Bosoptin (TN) (+/-) verapamil C-22537 1007128-78-0 Cardiagutt 1394-EP2280008A2 1394-EP2301936A1 CP 16533-1 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile D-365 52-53-9 DivK1c_000399 AC-16016 EINECS 260-462-6 AN-41629 Prestwick3_000141 SGTNSNPWRIOYBX-UHFFFAOYSA-N STK538085 KB-243163 Veramex KBio3_000465 Verapamilo L001330 Verelan PM NCGC00016083-05 NCGC00016083-14 NCGC00024710-06 NSC 135784 Apo-Verap HMS3402L15 Bio1_000425 BRD-A09533288-001-02-7 (2R)-2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile Calan 1394-EP2272972A1 CAS_52-53-9 1394-EP2298765A1 Cordilox 1394-EP2316832A1 CP-16533-1 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]methylamino}-2-(methy lethyl)pentanenitrile 7482-85-1 DSSTox_CID_21152 Akilen (Salt/Mix) Finoptin SBI-0051204.P003 SPBio_002181 Isoptin (TN) Tox21_110300_1 KBio2_002343 Verapamil (USAN/INN) KBioGR_000233 Verapamilum [INN-Latin] LS-174 NCGC00016083-08 NCGC00016083-17 NCGC00024710-09 NSC_62969 [ Show all ]
Inchi Key	SGTNSNPWRIOYBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
PubChem CID	2520
ChEMBL	CHEMBL6966
IUPHAR	N/A
BindingDB	81939
DrugBank	DB00661
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	579.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	217.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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