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-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	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	FT-0674051 IDI1_000930 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 DivK1c_000930 HRSANNODOVBCST-UHFFFAOYSA-N KBio2_001932 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 DSSTox_RID_76003 ICI 38174 [AS HYDROCHLORIDE] KBio3_001797 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 Compound 38174 GNF-Pf-2670 Inetol LS-7672 NETH ( -)-Pronethalol Pronetalol [INN:BAN] 2-(isopropylamino)-1-(naphthalen-2-yl)ethanol SCHEMBL78996 AB00053671 Tox21_110927 AOB5347 BSPBio_001007 DSSTox_CID_1193 HY-B1238 KBio2_004500 NCGC00024809-03 Prestwick0_000974 (+/-)-Pronethalol Pronetalolo [DCIT] 2-Naphthalenemethanol, alpha-(((1-methylethyl)amino)methyl)- Spectrum2_001570 AC1L1J98 AY-6204 HCl CAS-54-80-8 DTXSID8021193 ICI-38174 [As Hydrochloride] KBioGR_001478 NCGC00024809-07 Prestwick3_000974 1-naphthalen-2-yl-2-(propan-2-ylamino)ethanol Spectrum5_001165 Alderlin BRD-A87715314-003-05-2 CS-4884 HMS2089K07 KBio1_000930 Naphthylisoproterenol Nethalide (+-)-Pronethalol Pronetalol [INN] 2-Isopropylamino-1-(naphth-2-yl)ethanol SPBio_001480 AB00053671-07 Tox21_110927_1 AS-16864 BSPBio_002577 DSSTox_GSID_21193 ICI 38,174 KBio2_007068 NCGC00024809-04 Prestwick1_000974 (2-Naphthyl)-1-isopropylaminoethanol Pronetalolum 2-NAPHTHALENEMETHANOL, alpha-((ISOPROPYLAMINO)METHYL)- Spectrum3_000969 AC1Q776Q BDBM25760 CCRIS 9216 [ 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	1288.0 nM	PMID15655528	BindingDB

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