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GPCR

NameBeta-3 adrenergic receptor
SpeciesMus musculus (Mouse)
GeneAdrb3
Synonymbeta3-adrenoceptor
beta3-adrenergic receptor
beta-3 adrenoreceptor
Beta-3 adrenoceptor
ADRB
[ Show all ]
DiseaseN/A for non-human GPCRs
Length400
Amino acid sequenceMAPWPHRNGSLALWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVIIAIARTPRLQTITNVFVTSLAAADLVVGLLVMPPGATLALTGHWPLGETGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSAAVSFAPIMSQWWRVGADAEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRHLLRRELGRFSPEESPPSPSRSPSPATGGTPAAPDGVPPCGRRPARLLPLREHRALRTLGLIMGIFSLCWLPFFLANVLRALAGPSLVPSGVFIALNWLGYANSAFNPVIYCRSPDFRDAFRRLLCSYGGRGPEEPRAVTFPASPVEARQSPPLNRFDGYEGARPFPT
UniProtP25962
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4030
IUPHAR30
DrugBankN/A

Ligand

NameBMS-196085
Molecular formulaC24H26F2N2O5S
IUPAC nameN-[5-[(1R)-2-[[(1R)-1-[4-(difluoromethoxy)phenyl]-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
Molecular weight492.538
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP3.7
SynonymsD07NFW
Methanesulfonamide, N-(5-(2-((1-(4-(difluoromethoxy)phenyl)-2-phenylethyl)amino)-1-hydroxyethyl)-2-hydroxyphenyl)-, (R-(R*,R*))-
SCHEMBL7042488
FM0D5L3W03
BDBM50106829
[ Show all ]
Inchi KeyXWLVOJZVWRCRMD-OFNKIYASSA-N
Inchi IDInChI=1S/C24H26F2N2O5S/c1-34(31,32)28-21-14-18(9-12-22(21)29)23(30)15-27-20(13-16-5-3-2-4-6-16)17-7-10-19(11-8-17)33-24(25)26/h2-12,14,20,23-24,27-30H,13,15H2,1H3/t20-,23+/m1/s1
PubChem CID9870286
ChEMBLCHEMBL322862
IUPHARN/A
BindingDB50106829
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4000.0 nMPMID11714606BindingDB,ChEMBL

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