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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

NameCHEMBL127656
Molecular formulaC36H44N8OS
IUPAC name1-cyano-3-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-[1-(4-octyl-1,3-thiazol-2-yl)-2,3-dihydroindol-4-yl]guanidine
Molecular weight636.863
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP7.9
SynonymsBDBM50096764
1-[4-[2-[[(R)-2-(3-Pyridyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyano-3-[1-(4-octyl-2-thiazolyl)-4-indolinyl]guanidine
Inchi KeyBJCLVBBSAUATBV-UMSFTDKQSA-N
Inchi IDInChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-11-30-25-46-36(42-30)44-22-19-31-32(12-8-13-33(31)44)43-35(40-26-37)41-29-16-14-27(15-17-29)18-21-39-24-34(45)28-10-9-20-38-23-28/h8-10,12-17,20,23,25,34,39,45H,2-7,11,18-19,21-22,24H2,1H3,(H2,40,41,43)/t34-/m0/s1
PubChem CID10416656
ChEMBLCHEMBL127656
IUPHARN/A
BindingDB50096764
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
Activation62.0 %PMID11212115ChEMBL
EC5013.0 nMPMID11212115BindingDB,ChEMBL

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