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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

NameCHEMBL487682
Molecular formulaC26H31N3O3
IUPAC name4-[4-[2-[[(2R)-2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-(2-methylpropyl)benzoic acid
Molecular weight433.552
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.6
SynonymsBDBM50243113
4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl]amino}ethyl)-3-isobutyl-4-biphenylcarboxylic acid
Inchi KeyNCHDMAKDMUDOFA-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H31N3O3/c1-17(2)13-22-14-20(7-9-23(22)26(31)32)19-5-3-18(4-6-19)11-12-28-16-24(30)21-8-10-25(27)29-15-21/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/t24-/m0/s1
PubChem CID16222940
ChEMBLCHEMBL487682
IUPHARN/A
BindingDB50243113
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC503.2 nMPMID18553954BindingDB,ChEMBL
Intrinsic activity1.0 -PMID18553954ChEMBL

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