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GPCR

NameBeta-3 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB3
SynonymADRB
Adrb-3
adrenergic receptor
atypical beta-adrenoceptor
beta 3-AR
[ Show all ]
DiseaseUrinary incontinence
Diabetes
Glaucoma
Hypertension
Irritable bowel syndrome
[ Show all ]
Length408
Amino acid sequenceMAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
UniProtP13945
Protein Data BankN/A
GPCR-HGmod modelP13945
3D structure modelThis predicted structure model is from GPCR-EXP P13945.
BioLiPN/A
Therapeutic Target DatabaseT51408
ChEMBLCHEMBL246
IUPHAR30
DrugBankBE0001012, BE0004872

Ligand

NameCHEMBL208352
Molecular formulaC24H25ClN2O3
IUPAC namemethyl 3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoate
Molecular weight424.925
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.4
Synonyms(R)-3'-{2-[2-(3-chloro-phenyl)-2-hydroxy-ethylamino]ethylamino}-biphenyl-3-carboxylic acid methyl ester
BDBM50002610
(R)-3'-[[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]amino]-[1,1'-biphenyl]-3-carboxylic acid methyl ester
SCHEMBL2878113
(r)-3'-{2-[2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-ethylamino}-biphenyl-3-carboxylic acid methyl ester
[ Show all ]
Inchi KeyAFXVNMWMSXRKBE-QHCPKHFHSA-N
Inchi IDInChI=1S/C24H25ClN2O3/c1-30-24(29)20-8-2-5-17(13-20)18-6-4-10-22(15-18)27-12-11-26-16-23(28)19-7-3-9-21(25)14-19/h2-10,13-15,23,26-28H,11-12,16H2,1H3/t23-/m0/s1
PubChem CID9845280
ChEMBLCHEMBL208352
IUPHARN/A
BindingDB50002610
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50158.0 nMPMID16640337BindingDB
EC50158.49 nMPMID16640337ChEMBL
Emax88.0 %PMID16640337ChEMBL

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