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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	S(-)-Pindolol
Molecular formula	C14H20N2O2
IUPAC name	(2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	248.326
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.8
Synonyms	ACM26328110 HMS2231C09 MLS001056774 NCGC00261034-01 S-(-)-Pindolol SR-01000597475-1 (-)-pindolol 2-propanol,1-(1h-indol-4-yloxy)-3-[(1-methylethyl)amino]-,(2s)- B6575 E34B58KY5W J-016382 NCGC00024973-01 PDSP2_000731 SMR000326991 UNII-BJ4HF6IU1D component JZQKKSLKJUAGIC-NSHDSACASA-N (2S)-1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol (S)-1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol CCG-204444 EU-0101027 Lopac0_001027 NCGC00024973-04 S(-)-Pindolol, solid SR-01000075488-2 2-Propanal, 1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)-, (S)- AKOS024456358 CHEMBL117405 HMS3261E19 MolPort-003-959-160 P-152 SB17015 Tocris-1060 (2S)-1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol 26328-11-0 BDBM50072755 espindolol KB-267891 NCGC00024973-02 Pindolol, (S)- SR-01000075488 UNII-E34B58KY5W (2S)-1-(1H-indol-4-yloxy)-3-[(propan-2-yl)amino]propan-2-ol (S)-pindolol AC1LELBQ CHEBI:48281 GTPL127 LP00349 NCGC00024973-05 S(?)-Pindolol SR-01000597475 2-Propanal,1-(1H-indol-4-yloxy)-3-((1-methylethyl)amino)-,(S)- API0005632 CTK8F2100 HMS3267E06 mt-102 PDSP1_000743 SCHEMBL5220 Tox21_500349 (2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol 328P110 BRD-K95598440-001-03-6 EU-0100349 Lopac0_000349 NCGC00024973-03 SR-01000075488-1 ZINC56645 (S)-(-)-pindolol [ Show all ]
Inchi Key	JZQKKSLKJUAGIC-NSHDSACASA-N
Inchi ID	InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/t11-/m0/s1
PubChem CID	688095
ChEMBL	CHEMBL117405
IUPHAR	127
BindingDB	50072755
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	0.752 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.434 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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