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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	desipramine
Molecular formula	C18H22N2
IUPAC name	3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
Molecular weight	266.388
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.9
Synonyms	6943AB NCGC00015340-09 AN-41558 Norpramine BSPBio_002137 Prestwick2_000343 D01UTL SPBio_002326 Desipramina TG537D343B Desmethylimipramine EX-4355 KBio1_000190 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methyl-1-propanamine # Lopac-D-3900 5-(gamma-Methylaminopropyl)iminodibenzyl NCGC00015340-01 NCGC00015340-04 AC-15977 NCGC00015340-13 BDBM35229 Pertofrane (Salt/Mix) CCG-118231 SBB002569 DB01151 Spectrum4_000314 Desipramine (D4) ZERO/006017 DivK1c_000190 HMS3430H03 (3-{2-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(methyl)amine KBio2_006057 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl);-N-methylpropan-1-amine MCULE-5904286906 5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(methylamino)propyl)- 5H-Dibenz[b,f]azepine, 10,11-dihydro-5-[3-(methylamino)propyl]- NCGC00015340-07 AKOS001681456 Norimipramine BRN 1432747 Prestwick0_000343 Sertofran Desimpramine ST052019 desipraminum [3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamine DTXSID6022896 Imipramine, demethyl- 10, 11-Dihydro-N-methyl-5H-dibez[b,f]azepine-5-propanamine KBioSS_000921 Monodemethylimipramine NCGC00015340-02 AB00053450 NCGC00015340-10 API0009063 Pentofran C06943 Prestwick3_000343 D07791 Spectrum2_000091 Desipramina [INN-Spanish] Treyzafagit Dezipramine GTPL2399 KBio2_000921 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE Lopac0_000358 50-47-5 NCGC00015340-05 AC1L1EXQ NCGC00024375-04 BPBio1_000447 Pertofrane (TN) CCRIS 7091 SBI-0050346.P004 Demethylimipramine Spectrum5_000833 Desipramine (INN) ZINC1530611 DMI (pharmaceutical) HSDB 3052 KBio3_001357 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine Methylaminopropyliminodibenzyl 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N-methyl- 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl- NCGC00015340-08 ALBB-025959 Norpramin (TN) BSPBio_000405 Prestwick1_000343 CHEMBL72 SPBio_000042 Desipramin STK735144 Desipraminum [INN-Latin] [3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamine hydrochloride EINECS 200-040-0 KB-232393 10,11-Dihydro-5-(3-methylaminopropyl)-5H-dibenz(b,f)azepine L001089 5-(3-methylaminopropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine N-(3-Methylaminopropyl)iminobibenzyl NCGC00015340-03 AB00053450_14 NCGC00015340-11 AX8123821 Pertofran (Salt/Mix) CAS-58-28-6 R1868 Spectrum3_000379 UNII-TG537D343B Dimethylimipramine HCYAFALTSJYZDH-UHFFFAOYSA-N (3-(10H,11H-Dibenzo[b,f]azepin-5-yl)propyl)methylamine KBio2_003489 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride LS-60421 58-28-6 (hydrochloride) NCGC00015340-06 AJ-26669 NINDS_000190 BRD-K60762818-003-15-3 Pertrofane CHEBI:47781 SCHEMBL34384 Desimipramine Spectrum_000441 Desipramine [INN:BAN] ZX-AN024471 DMI 50475 IDI1_000190 050D475 KBioGR_000928 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine MolPort-002-051-955 5H-Dibenzo[b, f]azepine, N-(3-methylaminopropyl)-, 10,11-Dihydro [ Show all ]
Inchi Key	HCYAFALTSJYZDH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
PubChem CID	2995
ChEMBL	CHEMBL72
IUPHAR	N/A
BindingDB	35229
DrugBank	DB01151
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank

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