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GPCR

NameBeta-3 adrenergic receptor
SpeciesCanis lupus familiaris (Dog)
GeneADRB3
SynonymBeta-3 adrenoceptor
Beta-3 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length405
Amino acid sequenceMAPWPHGNGSVASWPAAPTPTPDAANTSGLPGAPWAVALAGALLALEVLATVGGNLLVIVAIARTPRLQTMTNVFVTSLATADLVVGLLVVPPGATLALTGRWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRRARAAVVLVWVVSAAVSFAPIMSKWWRVGADAEAQRCHSNPHCCAFASNIPYALLSSSVSFYLPLLVMLFVYARVFLVATRQLRLLRRELGRFPPAESPPAASRSRSPGPARRCASPAAVPSDRLRPARLLPLREHRALRTLGLIVGTFTLCWLPFFVANVMRALGGPSLVPSPALLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCRREEHRAAASPPGDPSAAPAALTSPAESSRCQALDGASWGIS
UniProtO02662
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4400
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL453047
Molecular formulaC27H31NO4
IUPAC name4-[4-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
Molecular weight433.548
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50243342
SCHEMBL5703914
4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid
Inchi KeyWVYCDLWTGGHFDH-SIBVEZHUSA-N
Inchi IDInChI=1S/C27H31NO4/c1-18(2)32-25-17-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(3)26(29)22-7-5-4-6-8-22/h4-14,17-19,26,28-29H,15-16H2,1-3H3,(H,30,31)/t19-,26-/m0/s1
PubChem CID11476004
ChEMBLCHEMBL453047
IUPHARN/A
BindingDB50243342
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC503.7 nMPMID18553954BindingDB,ChEMBL
Intrinsic activity0.89 -PMID18553954ChEMBL

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