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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	practolol
Molecular formula	C14H22N2O3
IUPAC name	N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Molecular weight	266.341
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	0.8
Synonyms	Acetamide, N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]- NCGC00024810-04 AY-21011 Practolol [USAN:BAN:INN] CAS-6673-35-4 Practololum [INN-Latin] D05587 Prestwick3_000332 dl-Practolol SPBio_002284 Eraldin SR-01000597449-4 HMS2096C05 [3-(4-Acetylamino-phenoxy)-2-hydroxy-propyl]-isopropyl-ammonium IDI1_000901 L000491 4'-[2-Hydroxy-3-(Isopropylamino)propoxy]acetanilide N-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide N-[4-[2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPOXY]PHENYL]ACETAMIDE Acetanilide, 4'-[2-hydroxy-3-(isopropylamino)propoxy]- NINDS_000901 BRD-A41304429-001-04-9 Practolol,(+) CHEBI:258351 Praktololu [Polish] Dalzic (TN) Racemic Practolol DSSTox_RID_75993 Spectrum5_001123 Eralzdin Practolol Teranol (TN) HMS3713C05 KBio2_001934 (+/-)-Practolol MLS002153779 6673-35-4 AC1Q1QBZ NCGC00024810-02 AY 21011 C11696 Practololo [DCIT] Cordialina (TN) Prestwick1_000332 DivK1c_000901 SMR001233163 EINECS 229-712-1 SR-01000597449-1 HMS1569C05 Z274728816 ICI 50172 KBioGR_001497 N-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide Acetamide,N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]- NCGC00024810-07 BDBM25749 Practolol [USAN:INN:BAN] CCG-39350 Praktol (TN) D0KD1U Prestwick_742 DSSTox_CID_1179 Spectrum2_001572 Eraldin (TN) STL489279 HMS2233K23 KB-294694 ( inverted exclamation markA)-Practolol LS-10763 4-[2-Hydroxy-3-(isopropylamino)propoxy]-acetanilide N-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide N-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide AKOS002685374 Oprea1_095524 BRD-A41304429-001-12-2 Practolol,(-) Pralon (TN) SBI-0051937.P002 DTXSID0021179 Spectrum_001454 FT-0673986 Tox21_110928 HMS502N03 KBio2_004502 1-(4-Acetamidophenoxy)-3-isopropylamino-2-propanol MolPort-000-182-968 AB00052459 Acetamide, N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)- NCGC00024810-03 AY-21,011 Practolol (USAN) Cardiol (TN) Practololum CTK5C5115 Prestwick2_000332 DL-4'-[2-Hydroxy-3-(isopropylamino)propoxy]acetanilide SPBio_001504 EN300-72170 SR-01000597449-2 HMS2089I09 Z3381 ICI-50172 KBioSS_001934 4'-(2-Hydroxy-3-(isopropylamino)propoxy)acetanilide N-(4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl)acetamide # N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide Acetanilide, 4'-(2-hydroxy-3-(isopropylamino)propoxy)- NE25450 BPBio1_000401 Practolol, >=95% (HPLC) CCRIS 1089 Praktololu Dalzic rac Practolol DSSTox_GSID_21179 Spectrum4_000859 Eraldina (TN) Teranol HMS3374G04 KBio1_000901 (+-)-Practolol MCULE-7992924679 N-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide AKOS016054902 Practalol BSPBio_000363 Practololo CHEMBL6995 Prestwick0_000332 DB01297 SCHEMBL39925 DURULFYMVIFBIR-UHFFFAOYSA-N SR-01000597449 GTPL555 Tox21_110928_1 I.C.I. 50,172 KBio2_007070 23313-50-0 N-(4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide AC1L1J62 [ Show all ]
Inchi Key	DURULFYMVIFBIR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
PubChem CID	4883
ChEMBL	CHEMBL6995
IUPHAR	555
BindingDB	25749
DrugBank	DB01297
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	7.56 -	PMID2836587	ChEMBL
Kd	10233.0 nM	PMID15655528	BindingDB
Ki	<10000.0 nM	PMID8699	BindingDB
Ki	880.0 nM	PMID8699	BindingDB

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