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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	Talipexole
Molecular formula	C10H15N3S
IUPAC name	6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
Molecular weight	209.311
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.5
Synonyms	CTK4A0034 FCH1328384 NCGC00163160-03 ZINC6644 6-allyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[4,5-d]azepin-2-amine AKOS030526065 CAS-101626-70-4 Domin HY-A0040 SCHEMBL49817 Talipexolum 4H-Thiazolo[4,5-d]azepin-2-amine,5,6,7,8-tetrahydro-6-(2-propen-1-yl)- 7AM2J46Z1Y BHT920 CHEBI:93327 DSSTox_RID_81537 NCGC00163160-01 Talipexol Tox21_112020_1 6-Allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo(4,5-d)azepine AC1Q4W5P BRD-K75615183-001-01-7 cid_5374 D08558 FT-0631016 NCGC00163160-04 Talipexole (INN) 101626-70-4 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine API0009175 CAS_101626-70-4 DSSTox_CID_26321 L001140 SR-01000722008 Talipexolum [Latin] 5,6,7,8-tetrahydro-6-(2-propenyl)-4H-thiazolo[4,5-d]azepin-2-amine Biomol-NT_000038 DTXSID8046321 NCGC00163160-02 Talipexol [Spanish] UNII-7AM2J46Z1Y 6-allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine ACMC-20db7z C-10747 CS-2860 D0Y7XC GTPL5442 NSC_104870 Talipexole [INN] 2-{4-[2-(4-Chlorobenzamido-d4)ethyl]phenozy}-2-methylpropanoic Acid 6-prop-2-enyl-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-2-amine BDBM86053 CC-34631 DSSTox_GSID_46321 LS-171790 SR-01000722008-2 Tox21_112020 6-(prop-2-en-1-yl)-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepin-2-amine AC1L1K7N BPBio1_001257 CHEMBL279085 [ Show all ]
Inchi Key	DHSSDEDRBUKTQY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
PubChem CID	5374
ChEMBL	CHEMBL279085
IUPHAR	N/A
BindingDB	86053
DrugBank	N/A
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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