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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

NameCHEMBL107382
Molecular formulaC30H36F2N4O4
IUPAC nameN-[(2,5-difluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]anilino]piperidine-1-carboxamide
Molecular weight554.639
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP4.0
Synonyms4-(4-{2-[(2S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic Acid 2,5-difluoro-benzylamide
SCHEMBL7094866
ATODTSRMPBDUGC-MHZLTWQESA-N
4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid 2,5-difluoro-benzylamide
BDBM50106985
[ Show all ]
Inchi KeyATODTSRMPBDUGC-MHZLTWQESA-N
Inchi IDInChI=1S/C30H36F2N4O4/c31-23-3-10-29(32)22(17-23)18-34-30(39)36-15-12-25(13-16-36)35-24-4-1-21(2-5-24)11-14-33-19-27(38)20-40-28-8-6-26(37)7-9-28/h1-10,17,25,27,33,35,37-38H,11-16,18-20H2,(H,34,39)/t27-/m0/s1
PubChem CID10209574
ChEMBLCHEMBL107382
IUPHARN/A
BindingDB50106985
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5023.0 nMPMID11720857BindingDB,ChEMBL
Intrinsic activity92.0 %PMID11720857ChEMBL

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