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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

NameCHEMBL42267
Molecular formulaC20H29N3O4
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-[4-(2-methyl-2-nitropropyl)anilino]propan-2-ol
Molecular weight375.469
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50064220
Dicyclopropyl ketone O-[2-hydroxy-3-[[4-(2-methyl-2-nitropropyl)phenyl]amino]propyl]oxime
Dicyclopropyl-methanone O-{2-hydroxy-3-[4-(2-methyl-2-nitro-propyl)-phenylamino]-propyl}-oxime
Inchi KeyLAYFYVAWRJMLET-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H29N3O4/c1-20(2,23(25)26)11-14-3-9-17(10-4-14)21-12-18(24)13-27-22-19(15-5-6-15)16-7-8-16/h3-4,9-10,15-16,18,21,24H,5-8,11-13H2,1-2H3
PubChem CID10549600
ChEMBLCHEMBL42267
IUPHARN/A
BindingDB50064220
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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