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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	apomorphine
Molecular formula	C17H17NO2
IUPAC name	(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Molecular weight	267.328
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	(-)-Apomorphine NCGC00025349-04 (apomorphine)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol Prestwick3_000101 314-19-2 (hydrochloride anhydrous) Tox21_110967_1 58-00-4 ZINC9073 Apomorfin Apomorphine [BAN] BPBio1_001179 CHEMBL53 DSSTox_RID_76660 Ixense MCULE-3200317958 (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol PDSP1_000780 (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol SCHEMBL8541 41372-20-7 Uprima (TN) 6a-beta-Aporphine-10,11-diol Apomorphine (BAN) Apormorphine BSPBio_000082 D0H6QU FT-0602881 NCGC00025349-02 (9R)-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol Prestwick1_000101 (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol(apomorphine) Tocris-2073 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (R)- (9CI) VR-400 AC1L1LLC Apomorphine hydrochloride Biomol-NT_000019 CHEBI:48538 DSSTox_CID_2614 HSDB 3289 (-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol(APO) NCGC00025349-05 (R)-(-)-Apomorphine Q-200645 UNII-N21FAR7B4S 6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol ((R)-apomorphine) Apomorphin APOMORPHINE6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol BRD-K76022557-001-01-3 cid_6852399 DTXSID8022614 L-Apomorphine N21FAR7B4S (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride PDSP2_001488 (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol ((R)-apomorphine) SMP1_000027 41372-20-7 (hydrochloride hemihydrate) VMWNQDUVQKEIOC-CYBMUJFWSA-N 6abeta-Aporphine-10,11-diol Apomorphine (intranasal, Parkinson's disease) BDBM29644 C17H17NO2 GTPL33 (-)-10,11-Dihydroxyaporphine NCGC00025349-03 (Apomorphine) 6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol Prestwick2_000101 Tox21_110967 VR004 Apokyn Apomorphine hydrochloride hemihydrate BPBio1_000092 DSSTox_GSID_22614 IV Apomorphine (6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol NH001 (R)-5,6,6A,7-TETRAHYDRO-6-METHYL-4H-DIBENZO[DE-G]QUINOLINE-10,11-DIOL R-(-)-Apomorphine 372A207 Uprima 6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol((R)-apomorphine) Apomorphinium chloride hemihydrate BRD-K76022557-311-20-6 D07460 EINECS 200-360-0 LS-21474 NCGC00025349-01 (9R)-10-methyl-10-azatetracyclo[7.7.1.0;{2,7}.0;{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4-diol Prestwick0_000101 (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol (apomorphine) SPBio_002021 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (R)- VR-040 8233AH Apomorphine (R,-) BDBM50001955 CAS-58-00-4 DB00714 HMS2089C10 [ Show all ]
Inchi Key	VMWNQDUVQKEIOC-CYBMUJFWSA-N
Inchi ID	InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
PubChem CID	6005
ChEMBL	CHEMBL53
IUPHAR	33
BindingDB	29644, 50001955
DrugBank	DB00714
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID12388666	BindingDB

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