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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

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	7.08 -	PMID2836587	ChEMBL
-Log KD	4.99 -	PMID2993621	ChEMBL
Kd	20417.0 nM	PMID2993621	BindingDB,ChEMBL

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