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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

NameCHEMBL61817
Molecular formulaC19H22N4O4
IUPAC name5-[2-[[(2R)-2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethoxy]-1-methylindole-2-carboxylic acid
Molecular weight370.409
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP-1.5
Synonyms5-{2-[(R)-2-(6-Amino-pyridin-3-yl)-2-hydroxy-ethylamino]-ethoxy}-1-methyl-1H-indole-2-carboxylic acid
BDBM50073052
Inchi KeyAPJZGORQENFTMG-KRWDZBQOSA-N
Inchi IDInChI=1S/C19H22N4O4/c1-23-15-4-3-14(8-13(15)9-16(23)19(25)26)27-7-6-21-11-17(24)12-2-5-18(20)22-10-12/h2-5,8-10,17,21,24H,6-7,11H2,1H3,(H2,20,22)(H,25,26)/t17-/m0/s1
PubChem CID9820697
ChEMBLCHEMBL61817
IUPHARN/A
BindingDB50073052
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50300.0 nMPMID9925722BindingDB,ChEMBL

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