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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

NameCHEMBL57431
Molecular formulaC30H40ClNO7
IUPAC namedipentan-3-yl 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight562.1
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP7.0
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(1-ethylpropyl) ester
Inchi KeyFVVUSKWURCSTKZ-CLOONOSVSA-N
Inchi IDInChI=1S/C30H40ClNO7/c1-6-23(7-2)36-28(34)30(29(35)37-24(8-3)9-4)38-26-14-13-20(16-27(26)39-30)15-19(5)32-18-25(33)21-11-10-12-22(31)17-21/h10-14,16-17,19,23-25,32-33H,6-9,15,18H2,1-5H3/t19-,25+/m1/s1
PubChem CID44300112
ChEMBLCHEMBL57431
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Response63.0 %PMID10450954ChEMBL

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