Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Beta-2 adrenergic receptor
Species	Canis lupus familiaris (Dog)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	415
Amino acid sequence	MGQPANRSVFLLAPNGSHAPDQGDSQERSEAWVVGMGIVMSLIVLAIVFGNVLVITAIARFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAKETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAQRQLQKIDRSEGRFHAQNLSQVEQDGRSGHGHRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSNNSNSRSDYAGEHSGCHLGQEKDSELLCEDPPGTEDRQGTVPSDSVDSQGRNCSTNDSLL
UniProt	P54833
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	CHEMBL2289
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	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 # Acetamide, N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)- NCGC00024810-03 AY-21,011 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 Acetanilide, 4'-(2-hydroxy-3-(isopropylamino)propoxy)- NE25450 BPBio1_000401 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 N-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide AKOS016054902 Practalol 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 Acetamide, N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]- NCGC00024810-04 AY-21011 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 N-[4-[2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPOXY]PHENYL]ACETAMIDE Acetanilide, 4'-[2-hydroxy-3-(isopropylamino)propoxy]- NINDS_000901 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 AC1Q1QBZ NCGC00024810-02 AY 21011 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 Acetamide,N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]- NCGC00024810-07 BDBM25749 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 N-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}acetamide AKOS002685374 Oprea1_095524 [ 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
Kd	186.21 nM	PMID2884312	BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417