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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

NameCHEMBL42337
Molecular formulaC17H21F3N2O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-[4-(trifluoromethyl)anilino]propan-2-ol
Molecular weight342.362
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.4
SynonymsDicyclopropyl-methanone O-[2-hydroxy-3-(4-trifluoromethyl-phenylamino)-propyl]-oxime
BDBM50064214
Dicyclopropyl ketone O-[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]amino]propyl]oxime
Inchi KeyATQWRWLPKWOPMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21F3N2O2/c18-17(19,20)13-5-7-14(8-6-13)21-9-15(23)10-24-22-16(11-1-2-11)12-3-4-12/h5-8,11-12,15,21,23H,1-4,9-10H2
PubChem CID10523732
ChEMBLCHEMBL42337
IUPHARN/A
BindingDB50064214
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID9572886BindingDB,ChEMBL

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