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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

NameCHEMBL270964
Molecular formulaC26H30N2O3
IUPAC name4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(propan-2-ylamino)benzoic acid
Molecular weight418.537
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.8
Synonyms(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(isopropylamino)biphenyl-4-carboxylic acid
BDBM50236160
4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)-3-(isopropylamino)-4-biphenylcarboxylic acid
Inchi KeyBACQNIUODFQAMD-VWLOTQADSA-N
Inchi IDInChI=1S/C26H30N2O3/c1-18(2)28-24-16-22(12-13-23(24)26(30)31)20-10-8-19(9-11-20)14-15-27-17-25(29)21-6-4-3-5-7-21/h3-13,16,18,25,27-29H,14-15,17H2,1-2H3,(H,30,31)/t25-/m0/s1
PubChem CID24823464
ChEMBLCHEMBL270964
IUPHARN/A
BindingDB50236160
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.29 nMPMID18307290, PMID19366244ChEMBL
EC500.29 nMPMID18307290, PMID19366244BindingDB
Ratio1.0 -PMID18307290ChEMBL

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