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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	metoprolol
Molecular formula	C15H25NO3
IUPAC name	1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight	267.369
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.9
Synonyms	EINECS 253-483-7 TOPROL-XL 1-Isopropylamino-3-[p-(2-methoxyethyl)phenoxy]-2-propanol H 93/26 (Salt/Mix) 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)- I01-7125 51384-51-1 Leiras Brand of Metoprolol Succinate or Metoprolol Tartrate AB00053499_23 Lopressor, Toprol-xl AstraZeneca Brand of Seloken Metoprolol succinate Betaloc Minax (TN) BRD-A03623303-045-05-3 Novartis Brand of Metprolol Tartrate CGP2175 D0I2MK Seroken (2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol FT-0654603 X-3755 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol H929 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (.+/-.)- Jsp006606 A2878 Lopresoretic AC1L1HKM MCULE-7999715986 BDBM25756 Metoprololum Betaloc-Astra NCGC00021148-04 CCG-204813 Q-201400 CHEMBL13 dl-Metoprolol SR-01000003148-2 1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol H 93 26 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol HY-17503 37350-58-6 KS-000022ZD AB00053499-21 Lopressor AN-41293 Beloc-Duriles Metrol (TN) BG-0006 Neobloc CGP-2175 Selo-Zok CTK7B2896 Seloken (+/-)-Metoprolol DTXSID2023309 Tartrate, Metoprolol EINECS 257-166-4 Toprol-XL (TN) 1-[(1-methylethyl)amino]-3-({4-[2-(methyloxy)ethyl]phenyl}oxy)propan-2-ol H 9326 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (+-)- I06-0125 54163-88-1 Lopresol (Salt/Mix) AB0013365 Loresor BC214891 metoprolol tartarate Betaloc (TN) MolPort-005-938-039 C07202 Preblok CHEBI:6904 Spesicor (RS)-Metoprolol 1-(Isopropylamino)-3-(p-(2-methoxyethyl)phenoxy)-2-propanol GP-2175E {2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl}(propan-2-yl)amine 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol HMS2090B15 KB-215767 A823609 Lopresoretic (Salt/Mix) AKOS005927923 Meijoprolol Beatrolol Metoprololum [INN-Latin] BetalocAstra NCGC00021148-05 CCRIS 4198 SBI-0050706.P004 Corvitol (TN) DSSTox_CID_3309 ST2407314 1-(Isopropylamino)-3-[p-(2-methoxyethyl)phenoxy]-2-propanol H 93-26 1-[4-(2-methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol I01-10535 4761AB L000669 AB00053499_22 Lopressor (TN) AstraZeneca Brand of Metaoprolol Tartrate Metoprolol (USAN/INN) BelocDuriles Metroprolol BRD-A03623303-045-02-0 Neobloc (TN) CGP-2175C Selokeen (TN) D02358 Seloken AstraZeneca Brand (.+/-.)-Metoprolol Dutoprol Toprol FT-0602794 Tox21_303972 1-[4-(2-METHOXYETHYL)-PHENOXY]-3-[(1-METHYLETHYL)AMINO]-2-PROPANOL H-93/26 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]- IUBSYMUCCVWXPE-UHFFFAOYSA-N Lopresor AC-19022 LS-122450 BCP09038 Metoprolol [USAN:INN:BAN] Betaloc Astra NCGC00021148-03 CAS-51384-51-1 Presolol DB00264 Spesikor 1-(4-(2-Methoxyethyl)-phenoxy)-3-((1-methylethyl)amino)-2-propanol 1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol GTPL553 1-[4-(2-methoxyethyl)phenoxy]-3-propan-2-ylamino-propan-2-ol HSDB 6531 3-[4-(2-methoxyethyl)phenoxy]-1-(propan-2-ylamino)propan-2-ol KB-55044 AB00053499 LOPRESSIDONE AN-15262 Metohexal Beloc Duriles Metrol Betalok NCGC00356981-01 CGP 2175 SCHEMBL4093 CS-3159 (+/-)-1-(Isopropylamino)-3-(p-(beta-methoxyethyl)phenoxy)-2-propanol DSSTox_GSID_23309 STL301858 [ Show all ]
Inchi Key	IUBSYMUCCVWXPE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
PubChem CID	4171
ChEMBL	CHEMBL13
IUPHAR	553
BindingDB	25756
DrugBank	DB00264
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
IC50	176.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Kd	15.85 nM	PMID25799158	ChEMBL
Kd	55.0 nM	PMID15655528	BindingDB
Ki	25.1189 - 100.0 nM	PMID10079020, PMID15655528, PMID10411574, PMID14730417	IUPHAR
Ki	47.0 nM	PMID14730417	BindingDB
Ki	102.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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