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

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	UNII-42FZ27IZLV
Molecular formula	C19H22ClNO4
IUPAC name	2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
Molecular weight	363.838
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	0.9
Synonyms	(R, R) (4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid Acetic acid, (4-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- BRL37344 SCHEMBL304308 2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)phenoxy)acetic acid BDBM50002133 CHEMBL284782 ZINC3871771 (4-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino}propyl)phenoxy)acetic acid (4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid Brl-37344 SB 206606 116049-78-6 Acetic acid, (4-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- CHEBI:131180 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid BRD-K07507905-236-01-8 D0Y1PG (4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid (BRL 37,344)(4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid BRL-44092 SB-206606 2-(4-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)acetic acid Acetic acid, 2-(4-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- UNII-5DZZ1926YW component ZGGNJJJYUVRADP-ACJLOTCBSA-N (+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)phenoxy)acetic acid 42FZ27IZLV BRL 37344 GTPL567 (4-{2-[(R)-2-((R)-3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid [ Show all ]
Inchi Key	ZGGNJJJYUVRADP-ACJLOTCBSA-N
Inchi ID	InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
PubChem CID	9841972
ChEMBL	CHEMBL284782
IUPHAR	567
BindingDB	50002133
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activation	23.0 %	PMID9873681	ChEMBL
Activity	0.67 -	Bioorg. Med. Chem. Lett., (1997) 7:12:1583	ChEMBL
Activity	23.0 %	PMID21170122	ChEMBL
EC50	0.095 nM	PMID12657269	BindingDB
EC50	0.095 nM	PMID12657269	ChEMBL
EC50	1.1 nM	PMID18083578	BindingDB,ChEMBL
EC50	2.188 nM	PMID12502364	ChEMBL
EC50	2.2 nM	PMID12502364	BindingDB,ChEMBL
EC50	5.9 nM	PMID18083578	BindingDB,ChEMBL
EC50	21.0 nM	PMID12657269, PMID21170122	BindingDB,ChEMBL
EC50	450.0 nM	PMID9873681	BindingDB,ChEMBL
EC50	680.0 nM	Bioorg. Med. Chem. Lett., (1997) 7:12:1583, , Bioorg. Med. Chem. Lett., (1996) 6:19:2253	BindingDB,ChEMBL
IA	0.67 -	Bioorg. Med. Chem. Lett., (1996) 6:19:2253	ChEMBL
Intrinsic activity	67.0 %	PMID11714605	ChEMBL
Intrinsic activity	76.0 %	PMID18083578	ChEMBL
Intrinsic activity	95.0 %	PMID12657269	ChEMBL
Intrinsic activity	109.0 %	PMID12657269	ChEMBL
Ki	100.0 - 398.0 nM	PMID8719421, PMID7903415, PMID7912272, PMID14730417	IUPHAR
Ki	660.0 nM	PMID11714605	BindingDB,ChEMBL
Ki	960.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:12:1583, Bioorg. Med. Chem. Lett., (1996) 6:19:2253	BindingDB,ChEMBL