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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

NameCHEMBL271945
Molecular formulaC26H29NO4
IUPAC name4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
Molecular weight419.521
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.2
Synonyms4''-[2-((R)-2-Hydroxy-2-phenyl-ethylamino)-ethyl]-3-isopropoxy-biphenyl-4-carboxylic acid
4'-[2-[[(betaR)-beta-Hydroxyphenethyl]amino]ethyl]-3-isopropoxy-4-biphenylcarboxylic acid
BDBM50236185
(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-isopropoxybiphenyl-4-carboxylic acid
4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid
Inchi KeyPZOXHDZLMHAWOO-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
PubChem CID24822974
ChEMBLCHEMBL271945
IUPHARN/A
BindingDB50236185
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502.9 nMPMID18307290, PMID19366244, PMID18553954BindingDB,ChEMBL
Intrinsic activity0.97 -PMID18553954ChEMBL
Ratio0.97 -PMID18307290ChEMBL

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