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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

NameCHEMBL551350
Molecular formulaC26H30N2O5
IUPAC nameN-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-(4-methoxyphenyl)acetamide
Molecular weight450.535
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.2
Synonyms(S)-4''-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(4-methoxyphenyl)acetanilide
BDBM50293422
Inchi KeyAQLXCWUWNRWFSB-QHCPKHFHSA-N
Inchi IDInChI=1S/C26H30N2O5/c1-32-24-10-4-20(5-11-24)16-26(31)28-21-6-2-19(3-7-21)14-15-27-17-23(30)18-33-25-12-8-22(29)9-13-25/h2-13,23,27,29-30H,14-18H2,1H3,(H,28,31)/t23-/m0/s1
PubChem CID44127054
ChEMBLCHEMBL551350
IUPHARN/A
BindingDB50293422
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501700.0 nMPMID19232786BindingDB,ChEMBL
Intrinsic activity0.86 -PMID19232786ChEMBL

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