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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	atenolol
Molecular formula	C14H22N2O3
IUPAC name	2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Molecular weight	266.341
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	0.2
Synonyms	HY-17498 Q-200656 InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) Seles beta KBio1_000057 Spectrum3_001448 KS-000046IQ CAS-29122-68-7 LP00121 CS-2927 MLS001066372 dl-Atenolol NCGC00015007-07 EINECS 262-544-7 NCGC00024566-05 GEO-03413 Normiten HMS3259K08 Panapres Atenolol, United States Pharmacopeia (USP) Reference Standard 60966-51-0 BBC/163 AC1Q1QBX benzeneacetamide, 4-[2'-hydroxy-3;-[(1-methylethyl)amino]propoxy]- Anselol Blocotenol Atcardil SR-01000000159-8 Cardiopress Atenol Tenoblock (+-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide Atenol Gador Tensimin (inverted question mark)-Atenolol Atenol Quesada Vascoten 122A687 Atenolin 2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide Atenolol [USAN:BAN:INN:JAN] Ibinolo SBB056998 Jenatenol Servitenol KBio2_006980 L000116 CHEBI:2904 MCULE-9148694071 D00235 MolPort-001-792-717 DSSTox_RID_76663 NCGC00015007-10 Evitocor NCGC00255122-01 HMS1569L13 NSC757832 HMS3369B14 Plenacor Atenololum [INN-Latin] AB00052208-15 BC201805 Aircrit Betacard API0001553 Spectrum_001364 BRD-A20239487-001-15-7 Atenblock Stermin Atenol AL Tenoretic (Salt/Mix) (+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide Atenol Heumann Tox21_500121 (RS)-Atenolol Atenol Trom Xaten 2-(4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl)acetamid Atenolol (JP15/USP/INN) 2-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acetamide Atenolol, 98% 4-[2 -Hydroxy-3 -(isopropylamino)-propoxy]phenylacetamide Prenormine ICI-66082 Scheinpharm Atenol KB-47450 SPECTRUM1501127 KBioSS_001844 Loten Corotenol MFCD00057645 DB00335 NC00548 duratenol NCGC00024566-03 FT-0622499 NINDS_000057 HMS2092D19 Oraday HMS500C19 4-[2-Hydroxy-3-(isopropylamino)-propoxy]phenylacetamide Aterol AC-8245 Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)- Altol BG0049 Artrenolol SR-01000000159-4 CA0145 Ateni Teno-basan ( inverted question mark)-Atenolol Atenol ct Tenormine (?)-Atenolol Atenol Nordic Unibloc 1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol Atenol-ratiopharm ZX-AS004380 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide Atenolol Bp 2-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide Atenolol, European Pharmacopoeia (EP) Reference Standard Hypoten RTR-012731 Internolol Selobloc KBio2_001844 Spectrum4_000435 KS-5341 CCG-39010 LS-28557 CTK3J2163 MLS001074163 DSSTox_CID_2628 NCGC00015007-08 EN300-119532 NCGC00024566-06 GTPL548 Noten HMS3260I04 Pharmakon1600-01501127 Atenolol,(S) A 7655 BBL009276 Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)- Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- Antipressan Blokium Atecard ST024754 Atenol 1A pharma Tenolol (+-)-Atenolol Atenol Genericon Tensotin (r,s)-atenolol Atenol Stada Vericordin 2-(4-(2-hydroxy-3-(isopropylamino)propoxy) 2-[4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl]acetamide Atenolol [USAN:INN:BAN:JAN] 29122-68-7 Premorine ICI 66,082 SBI-0050109.P003 Juvental SMR000036768 KBio3_002415 Lo-ten METKIMKYRPQLGS-UHFFFAOYSA- D01UXC MRF-0000571 DTXSID2022628 NCGC00015007-11 Farnormin NCGC00260806-01 HMS1921H09 Opera_ID_1283 HMS3369D20 4-[2'-Hydroxy-3'-(isopropylamino)-propoxy]phenylacetamide Atenomel AB00052208_16 BCP12899 AKOS005111050 Betasyn Apo-Atenolol SR-01000000159 BRN 2739235 Atendol STK528649 Atenol Atid Tenormin (+/-)-Atenolol Atenol MSD TR-012731 (y)-Atenolol Atenol von ct Z-0828 2-(4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl)acetamide Atenolol (JP17/USP/INN) 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide Atenolol, >=98% (TLC), powder Prinorm IDI1_000057 SCHEMBL4362 KB-62479 Spectrum2_001411 KS-00000XIG Lotenal CPD000036768 MLS000069622 DivK1c_000057 NCGC00015007-06 EINECS 249-451-7 NCGC00024566-04 FT-0693045 Normalol HMS2233E06 Ormidol HSDB 6526 AX8005715 AC1L1D99 BENZENEACETAMIDE, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, (+-)- AN-7253 BIM-0050109.0001 Atcard SR-01000000159-5 Cardaxen Atenil Tenobloc (+)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide Atenol Fecofar Tenormine [French] (A+/-)-Atenolol Atenol PB Uniloc 106020-65-9 Atenol-Wolff 2-(4-{[(2S)-2-hydroxy-3-(propan-2-ylamino)propyl]oxy}phenyl)acetamide Atenolol solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material 2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide Atenolol, Pharmaceutical Secondary Standard; Certified Reference Material I01-3572 SAM002564193 J10009 Serten KBio2_004412 Spectrum5_001509 KSC492C6H CCRIS 4196 LS-9707 Cuxanorm MLS001304038 DSSTox_GSID_22628 NCGC00015007-09 EU-0100121 NCGC00024566-07 Hipres NSC-757832 HMS3266K13 phenyl)acetamide Atenololum AB00052208-13 BB_SC-01519 Acetamide,2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl) Betablok ANW-45215 BRD-A20239487-001-02-5 Atehexal ST2403914 Atenol acis Tenoprin (+/-)-4-(2-Hydroxy-3-[(1-methylethyl)amino]propoxy)benzeneacetamide Atenol GNR Tox21_302426 (RS)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide Atenol Tika Wesipin 2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide Atenolol (JAN/USP) 2-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide Atenolol [USAN:USP:INN:BAN:JAN] 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide Prenolol ICI 66082 SC-19545 KB-222053 SPBio_001482 KBioGR_000790 Lopac0_000121 CHEMBL24 METKIMKYRPQLGS-UHFFFAOYSA-N Myocord Duraatenolol NCGC00015007-13 Felo-Bits Neatenol HMS2090I19 Oprea1_448775 HMS3369P20 4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide Atereal AB0011597 BDBM25753 Alinor Betatop Ge ARONIS23884 SR-01000000159-2 BSPBio_002915 Atenet Tenidon Atenol Cophar Tenormin (TN) (1)-2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide Atenol NM Pharma Tredol Atenol-Mepha Z1541638518 2-(4-{2-hydroxy-3-[(methylethyl)amino]propoxy}phenyl)acetamide Atenolol 1.0 mg/ml in Acetonitrile 2-{4-[2-Hydroxy-3-(isopropylamino)propoxy]-phenyl}acetamide Atenolol, analytical reference material [ Show all ]
Inchi Key	METKIMKYRPQLGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
PubChem CID	2249
ChEMBL	CHEMBL24
IUPHAR	548
BindingDB	25753
DrugBank	DB00335
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
IC50	2.1 nM	PMID26988801, PMID27876250	BindingDB
IC50	210.0 nM	PMID26988801, PMID27876250	ChEMBL
IC50	260.0 nM	PMID23466604	ChEMBL
IC50	600.0 nM	PMID18983139	ChEMBL
IC50	1313.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	1640.0 nM	PMID20875743	BindingDB,ChEMBL
IC50	1740.0 nM	PMID18588282	ChEMBL
Kd	219.0 nM	PMID15655528	BindingDB
Ki	25.1189 - 199.526 nM	PMID15060759, PMID10079020, PMID15655528	IUPHAR
Ki	150.0 nM	PMID23466604	ChEMBL
Ki	170.0 nM	PMID21726069	BindingDB,ChEMBL
Ki	388.0 nM	PMID14730417	PDSP,BindingDB
Ki	430.0 nM	PMID18983139	ChEMBL
Ki	758.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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