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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	piribedil
Molecular formula	C16H18N4O2
IUPAC name	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
Molecular weight	298.346
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.8
Synonyms	SR-01000076091-11 UNII-DO22K1PRDJ DO22K1PRDJ ET-495 Jsp000012 1-(2-Pyrimidyl)-4-piperonylpiperazine MCULE-1529810865 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine NCGC00015857-07 78213-63-5 (mono-hydrochloride) OQDPVLVUJFGPGQ-UHFFFAOYSA-N AJ-73947 Piribedilum [INN-Latin] BCP10553 Pyrimidine, 2-(4-piperonyl-1-piperazinyl)- BSPBio_001019 CAS-78213-63-5 Tox21_110245 CTK5E5513 DSSTox_RID_80735 FT-0610865 KS-00000MQZ 2-(4-(3,4-Methylenedioxybenzyl)piperazino)pyrimidine NCGC00015857-02 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine NCGC00024951-02 AB00514645-19 Piribedil (INN) AN-15613 Prestwick1_000980 BPBio1_001121 R416 SPBio_002930 CCG-205045 Trivastal (TN) ES-0016 HY-12707 Lopac0_000965 2-(4-Piperonyl-1-piperazinyl)-Pyrimidine NCGC00015857-05 52293-23-9 (mesylate) Oprea1_061309 AC1L1J3H Piribedile [DCIT] BAS 00638885 PubChem18226 BRD-K47936004-003-03-1 STL497889 CHEMBL1371770 Z31240640 DSSTox_CID_25188 EU 4200 K-0055 1-(3,4-Methylenedioxybenzyl)-4-(2-pyrimidyl)piperazine MolPort-001-900-168 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine NCGC00015857-09 P2054 AK115468 Piribendyl BDBM85092 Pyrimidine, 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]- Cambridge id 5268291 CAS_3605-01-4 Tox21_110245_1 D07305 DTXSID9045188 GTPL49 L000476 2-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)pyrimidine NCGC00015857-03 3605-01-4 NCGC00024951-03 AB1006701 Piribedil [INN:DCF] API0004731 Prestwick2_000980 BPBio1_001269 SBI-0050938.P002 SR-01000076091 CHEBI:92833 Trivastan DB12478 ET 495 J10201 1-(2-Pyrimidyl)-4-(3,4-methylenedioxybenzyl)piperazine LS-135515 2-(4-Piperonyl-1-piperazinyl)pyrimidine NCGC00015857-06 605P014 Oprea1_215383 AC1Q6ZYE Piribedilum BC201086 Pyrimidine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)- BRN 0963637 CAS-3605-01-4 Tocris-1031 CS-8014 ZINC19537374 DSSTox_GSID_45188 EU-4200 KB-166579 2-(4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)pyrimidine NCGC00015857-01 2-[4-(3,4-methylenedioxybenzyl)piperazino]pyrimidine NCGC00024951-01 AB00514645 AKOS001309525 Prestwick0_000980 Biomol-NT_000044 Pyrimidine,2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-, hydrochloride (1:1) CC-33826 Trivastal D07GXY EINECS 222-764-6 HMS2089M17 Lopac-P-9233 2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-pyrimidine NCGC00015857-04 NSC_4850 AC-1051 Piribedile AX8069130 Prestwick3_000980 BRD-K47936004-001-01-9 SCHEMBL150101 [ Show all ]
Inchi Key	OQDPVLVUJFGPGQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
PubChem CID	4850
ChEMBL	CHEMBL1371770
IUPHAR	49
BindingDB	85092
DrugBank	DB12478
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, PMID11356907	PDSP,BindingDB

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