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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

NameCHEMBL302028
Molecular formulaC35H44N2O4
IUPAC name2,6-ditert-butyl-4-[3-[4-[(2-hydroxy-3-isoquinolin-5-yloxypropyl)amino]phenoxy]propyl]phenol
Molecular weight556.747
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP8.4
Synonyms2,6-Di-tert-butyl-4-[3-[4-[2-hydroxy-3-(5-isoquinolinyloxy)propylamino]phenoxy]propyl]phenol
Inchi KeyAIZLRGITAPYWOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H44N2O4/c1-34(2,3)30-19-24(20-31(33(30)39)35(4,5)6)9-8-18-40-28-14-12-26(13-15-28)37-22-27(38)23-41-32-11-7-10-25-21-36-17-16-29(25)32/h7,10-17,19-21,27,37-39H,8-9,18,22-23H2,1-6H3
PubChem CID44307041
ChEMBLCHEMBL302028
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
cAMP production76.3 pM min-1 well-1PMID11755356ChEMBL
cAMP production129.6 pM min-1 well-1PMID11755356ChEMBL

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