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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

NameCHEMBL466713
Molecular formulaC23H26N4O3
IUPAC nameN-[4-[2-[[(2S)-2-hydroxy-3-pyridin-3-yloxypropyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide
Molecular weight406.486
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.5
SynonymsBDBM50259166
(S)-4''-(2-{[2-Hydroxy-3-(2-benzimidazolon-4-yloxy)-propyl]amino}ethyl)-2-(2-pyridyl)-acetanilide
Inchi KeyAQJCLQHNMBRSSX-NRFANRHFSA-N
Inchi IDInChI=1S/C23H26N4O3/c28-21(17-30-22-5-3-11-24-16-22)15-25-13-10-18-6-8-19(9-7-18)27-23(29)14-20-4-1-2-12-26-20/h1-9,11-12,16,21,25,28H,10,13-15,17H2,(H,27,29)/t21-/m0/s1
PubChem CID44574687
ChEMBLCHEMBL466713
IUPHARN/A
BindingDB50259166
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<100000.0 nMPMID19362005BindingDB,ChEMBL
Intrinsic activity0.06 -PMID19362005ChEMBL

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