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GPCR

Name	Beta-1 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB1
Synonym	Adrenergic receptor beta 1 Adrb-1 ADRB1R adrenergic receptor beta 1-AR beta1-adrenoceptor beta-1 adrenoreceptor Beta-1 adrenoceptor B1AR beta-1 adrenergic receptor [ Show all ]
Disease	Heart failure; Cardiogenic shock Heart failure Glaucoma Diabetes Coronary artery disease Circulatory disorders Chronic open-angle glaucoma; Ocular hypertension Chronic open-angle glaucoma High blood pressure High blood pressure; Angina Hypertension Septic shock; Neurogenic shock Open-angle glaucoma; Ocular hypertension Migraine Maintenance of normal sinus rhythm Hypertension; Ventricular premature beats Hypertension; Heart arrhythmia Hypertension; Angina pectoris Hypertension; Angina Ventricular fibrillation Central and peripheral nervous diseases Acute supraventricular tachycardia Open-angle glaucoma Allergy; Sepsis Angina pectoris Angina pectoris; Hypertension Bronchodilator Cardiac arrhythmias [ Show all ]
Length	477
Amino acid sequence	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProt	P08588
Protein Data Bank	N/A
GPCR-HGmod model	P08588
3D structure model	This predicted structure model is from GPCR-EXP P08588.
BioLiP	N/A
Therapeutic Target Database	T44068
ChEMBL	CHEMBL213
IUPHAR	28
DrugBank	BE0000172

Ligand

Name	tamoxifen
Molecular formula	C26H29NO
IUPAC name	2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
Molecular weight	371.524
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	7.1
Synonyms	BSPBio_001150 10331-EP2281815A1 10331-EP2295427A1 D08559 10331-EP2301933A1 EBD41546 10331-EP2311455A1 GA9513 10331-EP2316833A1 HMS2232C12 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine ICI-47699 7728-73-6 (E/Z)-Tamoxifen AJ-26679 (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE BIDD:GT0009 10331-EP2270008A1 NCGC00254455-01 NSC-727681 SBI-0051170.P004 ST24049323 TAMOXIFEN (TAMOXIFEN CITRATE (54965-24-1)) Tamoxifen, analytical standard Tocris-0999 L024126 UNII-094ZI81Y45 NCGC00024928-03 [3H]tamoxifen NCGC00024928-12 10331-EP2272832A1 C26H29NO 10331-EP2292576A2 Citofen 10331-EP2298748A2 Diemon 10331-EP2305671A1 Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl- 10331-EP2311840A1 GTPL5384 10540-29-1 HSDB 6782 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine AB00053547-17 (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethan-1-amine AOB5640 1-p-.beta.-Dimethylamino-ethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-001-02-9 NCGC00024928-15 NKANXQFJJICGDU-QPLCGJKRSA-N Pms-Tamoxifen SMR000059172 Tamoplex (TN) Tamoxifen and its salts Tamoxifene [INN-French] Istubal (TN) Tox21_300539 LS-393 Valodex NCGC00024928-07 BRD-K93754473-048-10-3 10331-EP2277876A1 CCRIS 3275 10331-EP2295416A2 CS-2870 10331-EP2301536A1 DSSTox_RID_79121 10331-EP2308855A1 Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl- 10331-EP2316831A1 HMS1990J11 2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine ICI-46,474 540T291 AB00053547_20 (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine BDBM20607 1-[4-(2-Dimethylaminoethoxy)phenyl]-1,2-diphenyl-1-butene NCGC00024928-18 Novaldex QTL1_000079 Spectrum5_002043 Tamoxifen (Hormonal therapy) Tamoxifen, 7 Tamoxifenum KB-80805 trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine MLS001332536 ZINC1530689 NCGC00024928-10 BSPBio_001982 10331-EP2289892A1 CHEMBL83 10331-EP2298305A1 D0FP3G 10331-EP2305640A2 EC 234-118-0 10331-EP2311825A1 Gen-Tamoxifen 10331-EP2316834A1 HMS3261D09 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine IDI1_000258 A801229 (Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene, trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine AKOS022143035 (Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine BIDD:PXR0003 10331-EP2270018A1 NCGC00024928-13 NCGC00258795-01 NSC727681 SC-45564 Tamizam Tamoxifen (TN) Tamoxifen, certified reference material, TraceCERT(R) Tomaxithen Lopac0_001203 UPCMLD-DP027 NCGC00024928-04 10331-EP2275102A1 CAS-10540-29-1 10331-EP2292614A1 cMAP_000044 10331-EP2298778A1 DSSTox_CID_14187 10331-EP2305689A1 Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)- 10331-EP2311842A2 HMS1362J11 13002-65-8 HY-13757A AB00053547-18 (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine AX8001839 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-048-04-6 NCGC00024928-16 Nolvadex-D Prestwick2_000146 Soltamox Tamoxen Tamoxifen Drug Standard Solution Tamoxifeno Istubol Tox21_500494 MFCD00010454 Valodex (TN) NCGC00024928-08 BSPBio_000252 10331-EP2280012A2 CHEBI:41774 10331-EP2295426A1 D07KSG 10331-EP2301538A1 DTXSID1034187 10331-EP2308861A1 Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)- 10331-EP2316832A1 HMS2090N08 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine ICI-46474 54965-24-1 (citrate) (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine AC1MBZ3R (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC) BIDD:ER0008 NCGC00024928-19 Novo-Tamoxifen Retaxim ST24049322 Tamoxifen (INN) Tamoxifen, >=99% Tamoxifenum [INN-Latin] KS-1472 trans-Tamoxifen NCGC00024928-01 [3H]-tamoxifen NCGC00024928-11 C07108 10331-EP2292233A2 cid_2733526 10331-EP2298746A1 DB00675 10331-EP2305642A2 EINECS 234-118-0 10331-EP2311827A1 GTPL1016 10331-EP2374454A1 HMS3403J11 2-[4-[1,2-di(phenyl)but-1-enyl]phenoxy]-n,n-dimethylethanamine AB00053547-16 (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine AM84324 094ZI81Y45 BPBio1_000278 10331-EP2272827A1 NCGC00024928-14 NCGC00261179-01 Oncomox SCHEMBL4084 Tamone Tamoxifen (Z) Tamoxifene IDI1_002170 Tox21_201243 LP00494 VA11813 NCGC00024928-05 10331-EP2277865A1 CCG-205277 10331-EP2292617A1 Crisafeno 10331-EP2298780A1 DSSTox_GSID_34187 10331-EP2308833A2 Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl- 10331-EP2316452A1 HMS1792J11 1ya4 ICI 47699 2060AH AB00053547_19 (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine B5965 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-048-05-3 NCGC00024928-17 Nourytam Prestwick3_000146 Spectrum5_001417 Tamoxifen [INN:BAN] Tamoxifeno [INN-Spanish] KB-282403 TRANS FORM OF TAMOXIFEN MLS001332535 W-108788 NCGC00024928-09 [ Show all ]
Inchi Key	NKANXQFJJICGDU-QPLCGJKRSA-N
Inchi ID	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
PubChem CID	2733526
ChEMBL	CHEMBL83
IUPHAR	1016
BindingDB	20607
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	17289.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	9984.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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