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GLASS

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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	1-(3-Methylphenyl)piperazine
Molecular formula	C11H16N2
IUPAC name	1-(3-methylphenyl)piperazine
Molecular weight	176.263
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.8
Synonyms	3-methyl phenylpiperazine AC1L34Q8 BDBM50001904 EN300-23498 JIWHIRLNKIUYSM-UHFFFAOYSA- NSC-184825 ST50405818 1-(m-Methylphenyl)piperazine 4-m-tolyl-piperazine ACMC-1AK0R CHEMBL165175 FT-0605635 KS-000011UM Piperazine,1-(3-methylphenyl)- VP70140 1-(3-methylphenyl) piperazine 1-m-tolyl-piperzine ALBB-005958 DTXSID30194108 InChI=1/C11H16N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3 MolPort-000-157-424 SBB027338 1-(3-Methylphenyl)piperazine, 99% 3-methylphenylpiperazine AC1Q2H5V BP-10761 F2190-0518 JIWHIRLNKIUYSM-UHFFFAOYSA-N NSC184825 STK500994 (3-methylphenyl)piperazine 1-(m-Tolyl)piperazine 4-m-tolylpiperazine AJ-10179 CTK4I4375 I13-446 Maybridge4_000089 R1690 ZINC66066 1-(3-Methylphenyl)-piperazine 1-m-tolylpiperazine 5647AB ANW-29582 EINECS 255-251-0 J-503165 NCIOpen2_003566 SCHEMBL81365 1-(3-Methylphenyl)piperazine, >=97.5% (HPLC) 4-(3-methylphenyl)piperazine AC1Q2H5W FS-1235 KB-12968 Piperazine, 1-(3-methylphenyl)- TR-016365 1-(3-methyl phenyl)piperazine 1-m-Tolyl-piperazine 41186-03-2 AKOS000101165 DB-024582 IDI1_030671 MCULE-1229085646 RL03590 [ Show all ]
Inchi Key	JIWHIRLNKIUYSM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
PubChem CID	83111
ChEMBL	CHEMBL165175
IUPHAR	N/A
BindingDB	50001904
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	12000.0 nM	PMID1347318	BindingDB,ChEMBL

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