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-1 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB1
Synonym	Adrenergic receptor beta 1 Adrb-1 ADRB1R adrenergic receptor beta 1-AR beta1-adrenoceptor beta-1 adrenoreceptor Beta-1 adrenoceptor B1AR beta-1 adrenergic receptor [ Show all ]
Disease	Heart failure; Cardiogenic shock Heart failure Glaucoma Diabetes Coronary artery disease Circulatory disorders Chronic open-angle glaucoma; Ocular hypertension Chronic open-angle glaucoma High blood pressure High blood pressure; Angina Hypertension Septic shock; Neurogenic shock Open-angle glaucoma; Ocular hypertension Migraine Maintenance of normal sinus rhythm Hypertension; Ventricular premature beats Hypertension; Heart arrhythmia Hypertension; Angina pectoris Hypertension; Angina Ventricular fibrillation Central and peripheral nervous diseases Acute supraventricular tachycardia Open-angle glaucoma Allergy; Sepsis Angina pectoris Angina pectoris; Hypertension Bronchodilator Cardiac arrhythmias [ Show all ]
Length	477
Amino acid sequence	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProt	P08588
Protein Data Bank	N/A
GPCR-HGmod model	P08588
3D structure model	This predicted structure model is from GPCR-EXP P08588.
BioLiP	N/A
Therapeutic Target Database	T44068
ChEMBL	CHEMBL213
IUPHAR	28
DrugBank	BE0000172

Ligand

Name	pronethalol
Molecular formula	C15H19NO
IUPAC name	1-naphthalen-2-yl-2-(propan-2-ylamino)ethanol
Molecular weight	229.323
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.0
Synonyms	NCGC00024809-02 NINDS_000930 (+/-)-1-(2'-Naphthyl)-2-isopropylaminoethanol Pronetalolo 2-Naphthalenemethanol, .alpha.-[[(1-methylethyl)amino]methyl]- SPBio_002918 AB00053671_08 AY 6204 [AS HYDROCHLORIDE] C11707 DivK1c_000930 HRSANNODOVBCST-UHFFFAOYSA-N KBio2_001932 NCGC00024809-05 Prestwick2_000974 1-(naphthalen-2-yl)-2-(propan-2-ylamino)ethan-1-ol Pronetalolum [INN-Latin] 2-[(1-methylethyl)amino]-1-naphthalen-2-ylethanol Spectrum4_001089 AKOS010125625 BPBio1_001109 CHEBI:8463 DSSTox_RID_76003 ICI 38174 [AS HYDROCHLORIDE] KBio3_001797 LS-7672 NETH ( -)-Pronethalol Pronetalol [INN:BAN] 2-(isopropylamino)-1-(naphthalen-2-yl)ethanol SCHEMBL78996 AB00053671 Tox21_110927 AOB5347 BSPBio_001007 Compound 38174 GNF-Pf-2670 Inetol NCGC00024809-03 Prestwick0_000974 (+/-)-Pronethalol Pronetalolo [DCIT] 2-Naphthalenemethanol, alpha-(((1-methylethyl)amino)methyl)- Spectrum2_001570 AC1L1J98 AY-6204 HCl CAS-54-80-8 DSSTox_CID_1193 HY-B1238 KBio2_004500 KBioGR_001478 NCGC00024809-07 Prestwick3_000974 1-naphthalen-2-yl-2-(propan-2-ylamino)ethanol Spectrum5_001165 Alderlin BRD-A87715314-003-05-2 DTXSID8021193 ICI-38174 [As Hydrochloride] Naphthylisoproterenol Nethalide (+-)-Pronethalol Pronetalol [INN] 2-Isopropylamino-1-(naphth-2-yl)ethanol SPBio_001480 AB00053671-07 Tox21_110927_1 AS-16864 BSPBio_002577 CS-4884 HMS2089K07 KBio1_000930 NCGC00024809-04 Prestwick1_000974 (2-Naphthyl)-1-isopropylaminoethanol Pronetalolum 2-NAPHTHALENEMETHANOL, alpha-((ISOPROPYLAMINO)METHYL)- Spectrum3_000969 AC1Q776Q BDBM25760 CCRIS 9216 DSSTox_GSID_21193 ICI 38,174 KBio2_007068 KBioSS_001932 Neathalide Pronetalol 2-(isopropylamino)-1-(2-naphthyl)ethanol SBI-0051834.P002 54-80-8 Spectrum_001452 AN-51024 BRD-A87715314-003-09-4 CHEMBL16476 FT-0674051 IDI1_000930 [ Show all ]
Inchi Key	HRSANNODOVBCST-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3
PubChem CID	4930
ChEMBL	CHEMBL16476
IUPHAR	N/A
BindingDB	25760
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	363.0 nM	PMID15655528	BindingDB

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