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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

NameCHEMBL431048
Molecular formulaC30H37F2N5O8S2
IUPAC name1-[(2,5-difluorophenyl)methyl]-3-[4-[4-[[[(2S)-2-hydroxy-3-[4-hydroxy-3-(methanesulfonamido)phenoxy]propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]urea
Molecular weight697.77
Hydrogen bond acceptor13
Hydrogen bond donor6
XlogP1.7
SynonymsN-(5-{(S)-3-[(1-{4-[3-(2,5-Difluoro-benzyl)-ureido]-benzenesulfonyl}-piperidin-4-ylmethyl)-amino]-2-hydroxy-propoxy}-2-hydroxy-phenyl)-methanesulfonamide
BDBM50119187
SCHEMBL7137130
1-(2,5-Difluorobenzyl)-3-[4-[4-[[[(2S)-2-hydroxy-3-[3-(methylsulfonylamino)-4-hydroxyphenoxy]propyl]amino]methyl]piperidinosulfonyl]phenyl]urea
BHZXRWNFNZHPOG-DEOSSOPVSA-N
[ Show all ]
Inchi KeyBHZXRWNFNZHPOG-DEOSSOPVSA-N
Inchi IDInChI=1S/C30H37F2N5O8S2/c1-46(41,42)36-28-15-25(5-9-29(28)39)45-19-24(38)18-33-16-20-10-12-37(13-11-20)47(43,44)26-6-3-23(4-7-26)35-30(40)34-17-21-14-22(31)2-8-27(21)32/h2-9,14-15,20,24,33,36,38-39H,10-13,16-19H2,1H3,(H2,34,35,40)/t24-/m0/s1
PubChem CID10283539
ChEMBLCHEMBL431048
IUPHARN/A
BindingDB50119187
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC501.0 nMPMID12270183BindingDB,ChEMBL
Intrinsic activity1.0 -PMID12270183ChEMBL

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