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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

NameCHEMBL61019
Molecular formulaC26H32ClNO8
IUPAC name5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2-[2-[(2-methylpropan-2-yl)oxy]ethoxycarbonyl]-1,3-benzodioxole-2-carboxylic acid
Molecular weight521.991
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP1.6
Synonyms5-[(R)-2-[[(R)-beta-Hydroxy-3-chlorophenethyl]amino]propyl]-2-(2-tert-butoxyethoxycarbonyl)-1,3-benzodioxole-2-carboxylic acid
Inchi KeyDUSWVRCIPDUGDK-LWHCCJILSA-N
Inchi IDInChI=1S/C26H32ClNO8/c1-16(28-15-20(29)18-6-5-7-19(27)14-18)12-17-8-9-21-22(13-17)36-26(35-21,23(30)31)24(32)33-10-11-34-25(2,3)4/h5-9,13-14,16,20,28-29H,10-12,15H2,1-4H3,(H,30,31)/t16-,20+,26?/m1/s1
PubChem CID44300370
ChEMBLCHEMBL61019
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Response20.0 %PMID10450954ChEMBL

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