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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

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	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 API0004584 HMS2089H17 Berkatens BPBio1_000268 (1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile C27H38N2O4 NCGC00016083-14 NCGC00024710-06 NSC 135784 Prestwick3_000141 SGTNSNPWRIOYBX-UHFFFAOYSA-N STK538085 KB-243163 Veramex KBio3_000465 Verapamilo L001330 Verelan PM NCGC00016083-05 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 FT-0603225 BDBM81939 IDI1_000399 Bio1_001403 BSPBio_000242 (A+/-)-Verapamil hydrochloride NCGC00016083-17 NCGC00024710-09 NSC_62969 SBI-0051204.P003 SPBio_002181 Isoptin (TN) Tox21_110300_1 KBio2_002343 Verapamil (USAN/INN) KBioGR_000233 Verapamilum [INN-Latin] LS-174 NCGC00016083-08 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 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 NCGC00016083-11 NCGC00024710-04 NINDS_000399 Prestwick1_000141 SCHEMBL16742 Spectrum5_001786 Isotopin Vasolan KBio2_005369 Verapamil [USAN:INN:BAN] KBioSS_000233 Verelan MolPort-000-721-258 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 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 NCGC00016083-15 NCGC00024710-07 NSC 272306NA Quasar SMR001550201 Tarka KBio1_000399 KBio3_000466 Verapamilo [INN-Spanish] Lekoptin Verexamil NCGC00016083-06 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 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 NCGC00016083-18 NCGC00344584-01 Nu-Verap SC-17292 Spectrum2_001740 Isoptin SR Univer KBio2_002801 Verapamil AL KBioGR_001372 Veraptin MCULE-3016077278 NCGC00016083-09 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 Ansyr HMS1989L15 Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, (+-)- Isoptin BP-21223 (+/-)-VERAPAMIL C07188 NCGC00016083-13 NCGC00024710-05 Novo-Veramil Prestwick2_000141 Securon ST50826367 Izoptin Veracim KBio2_007479 VERAPAMIL, Dexverapamil, Verapamyl hydrochloride, VERAPAMIL HYDROCHLORIDE KBioSS_002346 Verelan (TN) NCGC00016083-04 1394-EP2272973A1 CC-35584 1394-EP2298776A1 Cordilox (Salt/Mix) 1394-EP2316833A1 CP-165331 36622-29-4 DB00661 DSSTox_GSID_41152 AKOS005468962 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) NCGC00016083-16 NCGC00024710-08 NSC272366 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 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 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 NCGC00016083-20 NCI60_020143 Prestwick0_000141 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 [ 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
	N/A	N/A	DrugBank

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