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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	dobutamine
Molecular formula	C18H23NO3
IUPAC name	4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
Molecular weight	301.386
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	3.4
Synonyms	34368-04-2 rac-dobutamine 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol(Dobutamine) AKOS025248013 CAS-34368-04-2 D0J7RK Dobutamine (USP/INN) Dobutaminum GTPL535 MCULE-6655494898 NCGC00015321-09 NCGC00024629-03 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol SPBio_002364 BDBM50325274 DL-dobutamine Dobutamine Tartrate (1:1), (S-(R,R))-Isomer DSSTox_CID_2958 L001157 NCGC00015321-04 (.+/-.)-4-[2-[[3-(p-Hydroxyphenyl)-1-methylpropyl]amino]ethyl]pyrocatechol 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride Prestwick2_000352 4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol Tox21_110126 AC1L1WFF BSPBio_000443 Compound 81929 Dobutamina [INN-Spanish] Dobutamine [USAN] DTXSID3022958 LS-174467 NCGC00015321-07 4-(2-([3-(4-Hydroxyphenyl)-1-methylpropyl]amino)ethyl)-1,2-benzenediol # racemic-Dobutamine API0014455 CCG-204460 Dobutamine Hcl in Dextrose 5% Dobutaminum [INN-Latin] HMS2089K05 MolPort-006-167-641 (+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol NCGC00015321-11 Prestwick0_000352 4-[2-[3-(4-Hydroxyphenyl)-1-methylpropylamino]ethyl]pyrocatechol SR-01000075265-9 67230-43-7 BPBio1_000489 CHEMBL926 Dobutamin Dobutamine [USAN:BAN:INN] DSSTox_GSID_22958 Lilly 81929 NCGC00015321-05 1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, (+-)- 3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine Prestwick3_000352 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol Tox21_110126_1 AC1Q7AD1 C06967 D03879 dobutamine(usp) FT-0625556 LY 81929 NCGC00015321-08 NCGC00024629-02 4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol SCHEMBL21237 52663-81-7 (hydrochloride) BBL033719 CHEBI:4670 DB00841 Dobutamine hydrobromide Dobutrex JRWZLRBJNMZMFE-UHFFFAOYSA-N NCGC00015321-03 (-)-Dobutamine Prestwick1_000352 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol STL373008 74753-15-4 (hydrobromide) BRD-A78322124-003-03-3 cid_36811 Dobutamina Dobutamine [USAN:USP:INN:BAN] DSSTox_RID_76807 Lopac0_000365 NCGC00015321-06 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, (.+/-.)- [ Show all ]
Inchi Key	JRWZLRBJNMZMFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
PubChem CID	36811
ChEMBL	CHEMBL926
IUPHAR	535
BindingDB	50325274
DrugBank	DB00841
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	1944.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Inotropic effect	26.0 -	PMID3027335	ChEMBL
Ki	1123.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	3162.28 nM	PMID10531390	IUPHAR

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