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GPCR

NameBeta-2 adrenergic receptor
SpeciesCanis lupus familiaris (Dog)
GeneADRB2
SynonymBeta-2 adrenoceptor
Beta-2 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length415
Amino acid sequenceMGQPANRSVFLLAPNGSHAPDQGDSQERSEAWVVGMGIVMSLIVLAIVFGNVLVITAIARFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAKETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAQRQLQKIDRSEGRFHAQNLSQVEQDGRSGHGHRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSNNSNSRSDYAGEHSGCHLGQEKDSELLCEDPPGTEDRQGTVPSDSVDSQGRNCSTNDSLL
UniProtP54833
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2289
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL142948
Molecular formulaC22H27N3O4S
IUPAC name7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4H-1,4-benzothiazin-3-one
Molecular weight429.535
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50086668
7-[2-Hydroxy-3-[4-(2-methoxyphenyl)piperazino]propoxy]-3,4-dihydro-2H-1,4-benzothiazine-3-one
7-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propoxy}-4H-benzo[1,4]thiazin-3-one
Inchi KeyGNBNOEIICSAQHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3O4S/c1-28-20-5-3-2-4-19(20)25-10-8-24(9-11-25)13-16(26)14-29-17-6-7-18-21(12-17)30-15-22(27)23-18/h2-7,12,16,26H,8-11,13-15H2,1H3,(H,23,27)
PubChem CID44361936
ChEMBLCHEMBL142948
IUPHARN/A
BindingDB50086668
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID10743949BindingDB,ChEMBL

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