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GPCR

NameBeta-3 adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdrb3
Synonymbeta3-adrenoceptor
beta3-adrenergic receptor
Beta-3 adrenoreceptor
Beta-3 adrenoceptor
ADRB
[ Show all ]
DiseaseN/A for non-human GPCRs
Length400
Amino acid sequenceMAPWPHKNGSLAFWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVITAIARTPRLQTITNVFVTSLATADLVVGLLVMPPGATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSATVSFAPIMSQWWRVGADAEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRRLLRRELGRFPPEESPRSPSRSPSPATVGTPTASDGVPSCGRRPARLLPLGEHRALRTLGLIMGIFSLCWLPFFLANVLRALVGPSLVPSGVFIALNWLGYANSAFNPLIYCRSPDFRDAFRRLLCSYGGRGPEEPRVVTFPASPVASRQNSPLNRFDGYEGERPFPT
UniProtP26255
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4031
IUPHAR30
DrugBankN/A

Ligand

NameCHEMBL61071
Molecular formulaC26H32ClNO8
IUPAC name2-(2-butoxyethoxycarbonyl)-5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2-carboxylic acid
Molecular weight521.991
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP1.8
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-2-(2-butoxyethoxycarbonyl)-1,3-benzodioxole-2-carboxylic acid
Inchi KeyFWADDZDRRXLWET-CBBDYGADSA-N
Inchi IDInChI=1S/C26H32ClNO8/c1-3-4-10-33-11-12-34-25(32)26(24(30)31)35-22-9-8-18(14-23(22)36-26)13-17(2)28-16-21(29)19-6-5-7-20(27)15-19/h5-9,14-15,17,21,28-29H,3-4,10-13,16H2,1-2H3,(H,30,31)/t17-,21+,26?/m1/s1
PubChem CID44300371
ChEMBLCHEMBL61071
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Response83.0 %PMID10450954ChEMBL

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