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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

NameCHEMBL111320
Molecular formulaC22H30ClN3O3S
IUPAC name(1R)-1-(3-chlorophenyl)-2-[2-[4-(cyclohexylsulfamoylamino)phenyl]ethylamino]ethanol
Molecular weight452.01
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.7
SynonymsBDBM50147452
N''-[4-(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)phenyl]-N-cyclohexylsulfamide
SCHEMBL6335090
Inchi KeyBFKNOKSSNSNADR-QFIPXVFZSA-N
Inchi IDInChI=1S/C22H30ClN3O3S/c23-19-6-4-5-18(15-19)22(27)16-24-14-13-17-9-11-21(12-10-17)26-30(28,29)25-20-7-2-1-3-8-20/h4-6,9-12,15,20,22,24-27H,1-3,7-8,13-14,16H2/t22-/m0/s1
PubChem CID10182494
ChEMBLCHEMBL111320
IUPHARN/A
BindingDB50147452
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50464.0 nMPMID15149682BindingDB,ChEMBL
IA63.0 -PMID15149682ChEMBL

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