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GPCR

NameBeta-3 adrenergic receptor
SpeciesMacaca mulatta (Rhesus macaque)
GeneADRB3
SynonymBeta-3 adrenoceptor
Beta-3 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMAPWPHGNSSLVPWPDVPTLAPNTANTSGLPGVPWAAALAGALLALAVLATVGGNLLVIVAITRTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLVLTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRRARAAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRWELGRFPPEESSPALSRSLAPAPAGTCAPPEGVPACCRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPDPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCHCGGRLPREPCAADRPASSPRAPLRPGPAPRSPGFASGSTGLLGEFLRPEGQEATLR
UniProtQ28524
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3124732
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3765335
Molecular formulaC25H28N4O3
IUPAC name(2S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-2-(6-oxopyridazin-1-yl)propanamide
Molecular weight432.524
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.1
SynonymsBDBM50146160
Inchi KeyPBXGYXYBIGMVQD-KBABAZTHSA-N
Inchi IDInChI=1S/C25H28N4O3/c1-17(29-23(30)8-5-15-26-29)25(32)28-20-11-9-18(10-12-20)16-21-13-14-22(27-21)24(31)19-6-3-2-4-7-19/h2-12,15,17,21-22,24,27,31H,13-14,16H2,1H3,(H,28,32)/t17-,21-,22+,24+/m0/s1
PubChem CID127037832
ChEMBLCHEMBL3765335
IUPHARN/A
BindingDB50146160
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC502.5 nMPMID26709102BindingDB,ChEMBL
EC5012.0 nMPMID26709102BindingDB,ChEMBL
max activation91.0 %PMID26709102ChEMBL

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