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GPCR

Name	Beta-2 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB2
Synonym	beta-2 adrenergic receptor Gpcr7 beta2-adrenoceptor Adrb-2 ADRB2R ADRBR adrenergic receptor adrenoceptor beta 2, surface beta-2 adrenoreceptor Beta-2 adrenoceptor B2AR beta 2-AR [ Show all ]
Disease	Premature labour Premature ejaculation Obesity Neurogenic bladder dysfunction Hypertension Ocular hypertension Chronic obstructive pulmonary disease; Asthma Chronic obstructive pulmonary disease Chronic breathing disorders Cachexia Bronchodilator Bradycardia; Heart block Skin infections Unspecified Acute asthma Aging skin; Exacerbations of acute asthma Asthma; Chronic obstructive pulmonary disease Asthma [ Show all ]
Length	413
Amino acid sequence	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProt	P07550
Protein Data Bank	3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx
GPCR-HGmod model	P07550
3D structure model	This structure is from PDB ID 3nya.
BioLiP	BL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808
Therapeutic Target Database	T24555, T52522
ChEMBL	CHEMBL210
IUPHAR	29
DrugBank	BE0000694

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	HMS1921H09 Opera_ID_1283 HMS3369D20 Premorine ICI 66,082 SBI-0050109.P003 Juvental SMR000036768 KBio3_002415 Lo-ten METKIMKYRPQLGS-UHFFFAOYSA- D01UXC MRF-0000571 DTXSID2022628 NCGC00015007-11 Farnormin NCGC00260806-01 Atenol GNR (RS)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide Atenol Tika 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 Atenololum AB00052208-13 SR-01000000159 BB_SC-01519 Acetamide,2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl) STK528649 Betablok ANW-45215 Tenormin BRD-A20239487-001-02-5 Atehexal TR-012731 Atenol acis Z-0828 (+/-)-4-(2-Hydroxy-3-[(1-methylethyl)amino]propoxy)benzeneacetamide Normalol HMS2233E06 Ormidol HSDB 6526 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 (1)-2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide Atenol NM Pharma Atenol-Mepha 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 4-[2'-Hydroxy-3'-(isopropylamino)propoxy]phenylacetamide Atereal AB0011597 SR-01000000159-5 BDBM25753 Alinor Tenobloc Betatop Ge ARONIS23884 Tenormine [French] BSPBio_002915 Atenet Uniloc Atenol Cophar Hipres NSC-757832 HMS3266K13 phenyl)acetamide 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 (inverted question mark)-Atenolol Atenol Quesada 122A687 Atenolin 2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide Atenolol [USAN:BAN:INN:JAN] Atenolol, United States Pharmacopeia (USP) Reference Standard 60966-51-0 BBC/163 AC1Q1QBX ST2403914 benzeneacetamide, 4-[2'-hydroxy-3;-[(1-methylethyl)amino]propoxy]- Anselol Tenoprin Blocotenol Atcardil Tox21_302426 Cardiopress Atenol Wesipin (+-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide Atenol Gador Neatenol HMS2090I19 Oprea1_448775 HMS3369P20 Prenolol ICI 66082 SC-19545 KB-222053 SPBio_001482 KBioGR_000790 Lopac0_000121 CHEMBL24 METKIMKYRPQLGS-UHFFFAOYSA-N Myocord Duraatenolol NCGC00015007-13 Felo-Bits Atenol Heumann (RS)-Atenolol Atenol Trom 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 Atenololum [INN-Latin] AB00052208-15 SR-01000000159-2 BC201805 Aircrit Tenidon Betacard API0001553 Tenormin (TN) BRD-A20239487-001-15-7 Atenblock Tredol Atenol AL Z1541638518 (+/-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide Normiten HMS3259K08 Panapres 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 (?)-Atenolol Atenol Nordic 1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol Atenol-ratiopharm 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 4-[2-Hydroxy-3-(isopropylamino)-propoxy]phenylacetamide Aterol AC-8245 SR-01000000159-8 Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)- Altol Tenoblock BG0049 Artrenolol Tensimin CA0145 Ateni Vascoten ( inverted question mark)-Atenolol Atenol ct HMS1569L13 NSC757832 HMS3369B14 Plenacor Ibinolo SBB056998 Jenatenol Servitenol KBio2_006980 L000116 CHEBI:2904 MCULE-9148694071 D00235 MolPort-001-792-717 DSSTox_RID_76663 NCGC00015007-10 Evitocor NCGC00255122-01 Atenol Genericon (r,s)-atenolol Atenol Stada 2-(4-(2-hydroxy-3-(isopropylamino)propoxy) 2-[4-(2-Hydroxy-3-isopropylaminopropoxy)phenyl]acetamide Atenolol [USAN:INN:BAN:JAN] 29122-68-7 Atenolol,(S) A 7655 Spectrum_001364 BBL009276 Acetamide, 2-(p-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)- Stermin Benzeneacetamide, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]- Antipressan Tenoretic (Salt/Mix) Blokium Atecard Tox21_500121 Atenol 1A pharma Xaten (+-)-Atenolol NINDS_000057 HMS2092D19 Oraday HMS500C19 Prenormine ICI-66082 Scheinpharm Atenol KB-47450 SPECTRUM1501127 KBioSS_001844 Loten Corotenol MFCD00057645 DB00335 NC00548 duratenol NCGC00024566-03 FT-0622499 Atenol MSD (y)-Atenolol Atenol von ct 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 4-[2'-Hydroxy-3'-(isopropylamino)-propoxy]phenylacetamide Atenomel AB00052208_16 SR-01000000159-4 BCP12899 AKOS005111050 Teno-basan Betasyn Apo-Atenolol Tenormine BRN 2739235 Atendol Unibloc Atenol Atid ZX-AS004380 (+/-)-Atenolol Noten HMS3260I04 Pharmakon1600-01501127 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 (A+/-)-Atenolol Atenol PB 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 AX8005715 AC1L1D99 ST024754 BENZENEACETAMIDE, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, (+-)- AN-7253 Tenolol BIM-0050109.0001 Atcard Tensotin Cardaxen Atenil Vericordin (+)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide Atenol Fecofar [ 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	14634.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Kd	1023.0 nM	PMID15655528	BindingDB
Ki	1000.0 - 2511.89 nM	PMID10079020, PMID15655528	IUPHAR
Ki	8140.0 nM	PMID14730417	PDSP,BindingDB
Ki	10061.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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