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GPCR

NameBeta-3 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB3
SynonymADRB
Adrb-3
adrenergic receptor
atypical beta-adrenoceptor
beta 3-AR
[ Show all ]
DiseaseUrinary incontinence
Diabetes
Glaucoma
Hypertension
Irritable bowel syndrome
[ Show all ]
Length408
Amino acid sequenceMAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
UniProtP13945
Protein Data BankN/A
GPCR-HGmod modelP13945
3D structure modelThis predicted structure model is from GPCR-EXP P13945.
BioLiPN/A
Therapeutic Target DatabaseT51408
ChEMBLCHEMBL246
IUPHAR30
DrugBankBE0001012, BE0004872

Ligand

NameUNII-42FZ27IZLV
Molecular formulaC19H22ClNO4
IUPAC name2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
Molecular weight363.838
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.9
Synonyms(+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)phenoxy)acetic acid
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
(4-{2-[(R)-2-((R)-3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid
[ Show all ]
Inchi KeyZGGNJJJYUVRADP-ACJLOTCBSA-N
Inchi IDInChI=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 CID9841972
ChEMBLCHEMBL284782
IUPHAR567
BindingDB50002133
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activation23.0 %PMID9873681ChEMBL
Activity0.67 -Bioorg. Med. Chem. Lett., (1997) 7:12:1583ChEMBL
Activity23.0 %PMID21170122ChEMBL
EC500.095 nMPMID12657269BindingDB
EC500.095 nMPMID12657269ChEMBL
EC501.1 nMPMID18083578BindingDB,ChEMBL
EC502.188 nMPMID12502364ChEMBL
EC502.2 nMPMID12502364BindingDB,ChEMBL
EC505.9 nMPMID18083578BindingDB,ChEMBL
EC5021.0 nMPMID12657269, PMID21170122BindingDB,ChEMBL
EC50450.0 nMPMID9873681BindingDB,ChEMBL
EC50680.0 nMBioorg. Med. Chem. Lett., (1997) 7:12:1583, , Bioorg. Med. Chem. Lett., (1996) 6:19:2253BindingDB,ChEMBL
IA0.67 -Bioorg. Med. Chem. Lett., (1996) 6:19:2253ChEMBL
Intrinsic activity67.0 %PMID11714605ChEMBL
Intrinsic activity76.0 %PMID18083578ChEMBL
Intrinsic activity95.0 %PMID12657269ChEMBL
Intrinsic activity109.0 %PMID12657269ChEMBL
Ki100.0 - 398.0 nMPMID8719421, PMID7903415, PMID7912272, PMID14730417IUPHAR
Ki660.0 nMPMID11714605BindingDB,ChEMBL
Ki960.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:12:1583, Bioorg. Med. Chem. Lett., (1996) 6:19:2253BindingDB,ChEMBL

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