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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

NameCHEMBL1089734
Molecular formulaC28H27N3O2
IUPAC nameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-phenylbenzamide
Molecular weight437.543
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.0
SynonymsBDBM50313959
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)biphenyl-4-carboxamide
Inchi KeyAVKRZFFIGQFMTG-MHZLTWQESA-N
Inchi IDInChI=1S/C28H27N3O2/c32-27(25-7-4-17-29-19-25)20-30-18-16-21-8-14-26(15-9-21)31-28(33)24-12-10-23(11-13-24)22-5-2-1-3-6-22/h1-15,17,19,27,30,32H,16,18,20H2,(H,31,33)/t27-/m0/s1
PubChem CID46881901
ChEMBLCHEMBL1089734
IUPHARN/A
BindingDB50313959
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity32.0 %PMID20181479ChEMBL
EC50187.0 nMPMID20181479BindingDB,ChEMBL

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