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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

NameCHEMBL60752
Molecular formulaC36H36ClNO7
IUPAC namebis(1-phenylethyl) 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
Molecular weight630.134
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP7.1
Synonyms5-{(2R)-2-[(2R)-2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-propyl}benzo[1,3]dioxole-2,2-dicarboxylic acid bis-(1-phenylethyl) ester
KRVMSMVZLFOBIC-CLAJUGCKSA-N
5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid bis(1-phenylethyl) ester
Inchi KeyKRVMSMVZLFOBIC-CLAJUGCKSA-N
Inchi IDInChI=1S/C36H36ClNO7/c1-23(38-22-31(39)29-15-10-16-30(37)21-29)19-26-17-18-32-33(20-26)45-36(44-32,34(40)42-24(2)27-11-6-4-7-12-27)35(41)43-25(3)28-13-8-5-9-14-28/h4-18,20-21,23-25,31,38-39H,19,22H2,1-3H3/t23-,24?,25?,31+,36?/m1/s1
PubChem CID44300300
ChEMBLCHEMBL60752
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
Response78.0 %PMID10450954ChEMBL

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