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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	spermidine
Molecular formula	C7H19N3
IUPAC name	N'-(3-aminopropyl)butane-1,4-diamine
Molecular weight	145.25
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	-1.0
Synonyms	NCGC00024903-03 4-Azaoctamethylenediamine SCHEMBL15618 Aminopropylbutandiamine Spectrum_000005 BPBio1_001276 Spermidine, BioReagent, for molecular biology, suitable for cell culture, >=98% CS-0013804 U87FK77H25 EINECS 204-689-0 KBio2_002913 M923 N-(3-Aminopropyl)-1,4-diamino-butane N1-(3-Aminopropyl)butane-1,4-diamine 1,8-Diamino-4-azaoctane 1699-EP2289890A1 NSC528399 AC1L1AQB SPD BDBM50009353 Spermidine 0.1 M solution C00315 SR0 DB-026892 HY-B1776 KBioGR_001542 MolPort-001-761-230 N-(3-aminopropyl)butane-1,4-diamine (4-aminobutyl)(3-aminopropyl)amine NCGC00015937-03 NCGC00024903-01 1pot RTR-003757 AJ-26792 Spectrum4_001101 bmse000951 Spermidine, >=99% (GC) Tocris-0959 DivK1c_001007 KBio1_001007 Lopac0_001047 N-(3-Aminopropyl)-1,4-butane-diamine N-[3-Aminopropyl]-1,4-butanediamine 1,4-Diaminobutane, N-(3-aminopropyl)- 124-20-9 NCI60_004294 4-Azaoctane-1,8-diamine SDCCGMLS-0066822.P001 AN-22947 Spermidin BRN 1698591 Spermidine, BioUltra, for molecular biology, >=99.5% (GC) CTK3J1693 UNII-U87FK77H25 FT-0629162 KBio2_005481 MCULE-8096530192 N-(3-Aminopropyl)-1,4-diaminobutane NCGC00015937-01 1699-EP2305808A1 N~1~-(3-azaniumylpropyl)butane-1,4-diaminium ACMC-20ajn3 Spectrum2_000874 Biomol-NT_000212 Spermidine hydrochloride CCG-205124 ST24048721 I14-110199 KBioSS_000345 N'-(3-aminopropyl)butane-1,4-diamine N-(4-Aminobutyl)-1,3-diaminopropane 1,4-Butanediamine, N-(3-aminopropyl)- NCGC00015937-04 NCGC00024903-02 4-04-00-01300 (Beilstein Handbook Reference) SC-69371 AKOS006222987 Spectrum5_001561 bmse000955 Spermidine, analytical standard CHEMBL19612 TR-003757 DTXSID4036645 KBio2_000345 LS-45643 N-(3-Aminopropyl)-1,4-butanediamine N1-(3-Aminopropyl);butane-1,4-diamine 1,5,10-Triazadecane 124S209 NINDS_001007 732A5665-46DA-4AD4-9009-FA0688CF6398 SPBio_000947 ATHGHQPFGPMSJY-UHFFFAOYSA-N BSPBio_002613 Spermidine, suitable for cell culture, BioReagent D08BXT ZINC1532612 GTPL2390 KBio3_001833 MFCD00008229 N-(3-Aminopropyl)-4-aminobutylamine NCGC00015937-02 NCGC00015937-05 1699-EP2314571A2 PA(34) AI3-26636 Spectrum3_000977 bmse000116 Spermidine, 99% CHEBI:16610 ST45025991 DB03566 IDI1_001007 Lopac-S-2501 N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE N-(gamma-aminopropyl)tetramethylenediamine 1,4-Butanediamine, N1-(3-aminopropyl)- [ Show all ]
Inchi Key	ATHGHQPFGPMSJY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
PubChem CID	1102
ChEMBL	CHEMBL19612
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB03566
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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