Zhang Lab

University of Michigan

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 ●DMFold ●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-3 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB3
Synonym	ADRB Adrb-3 adrenergic receptor atypical beta-adrenoceptor beta 3-AR Beta-3 adrenoceptor Beta-3 adrenoreceptor beta3-adrenergic receptor beta3-adrenoceptor [ Show all ]
Disease	Urinary incontinence Diabetes Glaucoma Hypertension Irritable bowel syndrome Major depressive disorder; Obesity; Type 2 diabetes Major depressive disorder; Severe mood disorders Obesity Gastrointestinal disease Obesity; Type 2 diabetes Asthma; Chronic obstructive pulmonary disease Asthma Angina pectoris Overactive bladder disorder Type 2 diabetes [ Show all ]
Length	408
Amino acid sequence	MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
UniProt	P13945
Protein Data Bank	N/A
GPCR-HGmod model	P13945
3D structure model	This predicted structure model is from GPCR-EXP P13945.
BioLiP	N/A
Therapeutic Target Database	T51408
ChEMBL	CHEMBL246
IUPHAR	30
DrugBank	BE0001012, BE0004872

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: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 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 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 Acetanilide, 4'-(2-hydroxy-3-(isopropylamino)propoxy)- NE25450 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 [ 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	<100000.0 nM	PMID15655528	BindingDB

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218