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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

NameCHEMBL559486
Molecular formulaC31H38N2O6S
IUPAC name2-cyclohexyloxy-4-[4-[(2S)-3-hydroxy-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]-N-methylsulfonylbenzamide
Molecular weight566.713
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.2
SynonymsBDBM50296959
3-(cyclohexyloxy)-4''-((S)-3-hydroxy-2-((R)-2-hydroxy-2-phenylethylamino)propyl)-N-(methylsulfonyl)biphenyl-4-carboxamide
Inchi KeyAYJDIOYHPHNQIK-WNJJXGMVSA-N
Inchi IDInChI=1S/C31H38N2O6S/c1-40(37,38)33-31(36)28-17-16-25(19-30(28)39-27-10-6-3-7-11-27)23-14-12-22(13-15-23)18-26(21-34)32-20-29(35)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,19,26-27,29,32,34-35H,3,6-7,10-11,18,20-21H2,1H3,(H,33,36)/t26-,29-/m0/s1
PubChem CID45267631
ChEMBLCHEMBL559486
IUPHARN/A
BindingDB50296959
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC500.82 nMPMID19608416BindingDB
EC500.82 nMPMID19608416ChEMBL

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