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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

NameCHEMBL491645
Molecular formulaC28H31ClN2O5
IUPAC name5-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]-2-(2,2-dimethylpropanoylamino)benzoic acid
Molecular weight511.015
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.1
Synonyms(R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)-2-pivalamidobenzoic acid
BDBM50264709
Inchi KeyKSUHGFRCLCFQDZ-VWLOTQADSA-N
Inchi IDInChI=1S/C28H31ClN2O5/c1-28(2,3)27(35)31-24-11-10-22(16-23(24)26(33)34)36-21-9-4-6-18(14-21)12-13-30-17-25(32)19-7-5-8-20(29)15-19/h4-11,14-16,25,30,32H,12-13,17H2,1-3H3,(H,31,35)(H,33,34)/t25-/m0/s1
PubChem CID44580040
ChEMBLCHEMBL491645
IUPHARN/A
BindingDB50264709
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC501.6 nMPMID18752946BindingDB,ChEMBL
Inhibition30.0 %PMID18752946ChEMBL

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