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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

NameCHEMBL101132
Molecular formulaC27H33N5O6S
IUPAC name1-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]-3-pyridin-2-ylurea
Molecular weight555.65
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.9
SynonymsBDBM50119188
SCHEMBL7134017
1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-pyridin-2-yl-urea
Inchi KeyAXGGLNIULOYTOM-QHCPKHFHSA-N
Inchi IDInChI=1S/C27H33N5O6S/c33-22-6-8-24(9-7-22)38-19-23(34)18-28-17-20-12-15-32(16-13-20)39(36,37)25-10-4-21(5-11-25)30-27(35)31-26-3-1-2-14-29-26/h1-11,14,20,23,28,33-34H,12-13,15-19H2,(H2,29,30,31,35)/t23-/m0/s1
PubChem CID10166311
ChEMBLCHEMBL101132
IUPHARN/A
BindingDB50119188
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5026.0 nMPMID12270183BindingDB,ChEMBL
Intrinsic activity0.92 -PMID12270183ChEMBL

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