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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

NameCHEMBL142496
Molecular formulaC22H24FN3O4S
IUPAC name8-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one
Molecular weight445.509
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50086675
8-[2-Hydroxy-3-[4-(4-fluorobenzoyl)piperazino]propoxy]-3,4-dihydro-2H-1,4-benzothiazine-3-one
8-{3-[4-(4-Fluoro-benzoyl)-piperazin-1-yl]-2-hydroxy-propoxy}-4H-benzo[1,4]thiazin-3-one
Inchi KeyHGLMWLKCPYICHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24FN3O4S/c23-16-6-4-15(5-7-16)22(29)26-10-8-25(9-11-26)12-17(27)13-30-19-3-1-2-18-21(19)31-14-20(28)24-18/h1-7,17,27H,8-14H2,(H,24,28)
PubChem CID44361774
ChEMBLCHEMBL142496
IUPHARN/A
BindingDB50086675
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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