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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

NameCHEMBL3128194
Molecular formulaC25H28N4O2S
IUPAC name(4R)-2-amino-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
Molecular weight448.585
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.2
SynonymsBDBM50448786
Inchi KeyOKIOQHRDFOXEBF-DZCCDHAISA-N
Inchi IDInChI=1S/C25H28N4O2S/c26-25-29-22-19(11-13-21(22)32-25)24(31)28-17-8-6-15(7-9-17)14-18-10-12-20(27-18)23(30)16-4-2-1-3-5-16/h1-9,18-20,23,27,30H,10-14H2,(H2,26,29)(H,28,31)/t18-,19+,20+,23+/m0/s1
PubChem CID76336500
ChEMBLCHEMBL3128194
IUPHARN/A
BindingDB50448786
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity78.0 %PMID24437735ChEMBL
EC500.06 nMPMID24437735ChEMBL
EC500.06 nMPMID24437735BindingDB

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