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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

NameCHEMBL43061
Molecular formulaC16H23N3O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-[(4-methylpyridin-2-yl)amino]propan-2-ol
Molecular weight289.379
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.1
SynonymsDicyclopropyl-methanone O-[2-hydroxy-3-(4-methyl-pyridin-2-ylamino)-propyl]-oxime
BDBM50064219
Dicyclopropyl ketone O-[2-hydroxy-3-[(4-methyl-2-pyridinyl)amino]propyl]oxime
Inchi KeyFZXIMNBELHTUKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H23N3O2/c1-11-6-7-17-15(8-11)18-9-14(20)10-21-19-16(12-2-3-12)13-4-5-13/h6-8,12-14,20H,2-5,9-10H2,1H3,(H,17,18)
PubChem CID10835117
ChEMBLCHEMBL43061
IUPHARN/A
BindingDB50064219
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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