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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	51639-48-6
Molecular formula	C12H16N2O
IUPAC name	1-(4-piperazin-1-ylphenyl)ethanone
Molecular weight	204.273
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.9
Synonyms	ACM51639486 BDBM50001899 DTXSID00199584 KB-147069 NSC-109890 SC-62400 1-(4-(piperazin-1-yl)phenyl)ethanone TR-018393 1-(4-piperazine-1-yl-phenyl)-ethanone 4'-(Piperazin-1-yl)acetophenone AB0118188 AK122324 CC-02154 Ethanone,1-[4-(1-piperazinyl)phenyl]- KS-00002BJA p-Piperazinoacetophenone SR-01000059922-1 1-(4-acetylphenyl)-piperazine X-4409 1-[4-(1-Piperazinyl)phenyl]-1-ethanone 4'-Piperazinoacetophenone, 94% AC1Q1JPD BBL016329 CTK4J4599 I13-0287 MolPort-000-006-194 PubChem13361 STK400476 1-(4-Piperazin-1-yl-phenyl)ethanone 1-[4-(piperazin-1-yl)phenyl]ethanone 4-piperazinoacetophenone ACMC-1AM8S BIDD:GT0584 EINECS 257-332-6 KB-147467 NSC109890 SCHEMBL232986 1-(4-Acetyl-phenyl)piperazine TS-02904 1-(p-acetylphenyl)piperazine 4'-piperazino-acetophenone AC1L3Y5U AKOS000120540 F2190-0511 MCULE-2994216639 P67186 ST042067 1-(4-acetylphenyl)piperazine ZINC29076 1-[4-(1-Piperazinyl)phenyl]ethanone # 4-(4-acetylphenyl)piperazine AC1Q5DY9 BB_SC-01973 DB-018540 InChI=1/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H n-(4-acetylphenyl)piperazine SBB055067 1-(4-(piperazin-1-yl)phenyl)ethan-1-one STR06370 1-(4-piperazin-1-ylphenyl)ethanone 4'-(1-Piperazino)acetophenone C12H16N2O 204.27 93-98 degrees 51639-48-6 257-332-6 MFCD00005962 UN3259 8 N 4-Piperazinoacetophenone, 94% AJ-08480 C-10008 Ethanone, 1-[4-(1-piperazinyl)phenyl]- KPXVKKBJROCIJB-UHFFFAOYSA-N OR0219 SR-01000059922 1-(4-acetylphenyl) piperazine VP70144 1-acetyl-4-piperazinylbenzene 4'-Piperazinoacetophenone 7213AB AC1Q1JPC AX8014119 CHEMBL166330 FT-0617368 MFCD00005962 Piperazin-4-ylacetophenone ST24037298 1-(4-Piperazin-1-yl-phenyl)-ethanone ZX-AT004644 1-[4-(piperazin-1-yl)phenyl]ethan-1-one 4-piperazino acetophenone [ Show all ]
Inchi Key	KPXVKKBJROCIJB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
PubChem CID	97269
ChEMBL	CHEMBL166330
IUPHAR	N/A
BindingDB	50001899
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	<100000.0 nM	PMID1347318	BindingDB,ChEMBL

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