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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

NameCHEMBL44711
Molecular formulaC17H24N2O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-(3-methylanilino)propan-2-ol
Molecular weight288.391
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsDicyclopropyl-methanone O-(2-hydroxy-3-m-tolylamino-propyl)-oxime
BDBM50064206
Dicyclopropyl ketone O-[2-hydroxy-3-[(3-methylphenyl)amino]propyl]oxime
Inchi KeyJMHIJHUNGQUPOA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24N2O2/c1-12-3-2-4-15(9-12)18-10-16(20)11-21-19-17(13-5-6-13)14-7-8-14/h2-4,9,13-14,16,18,20H,5-8,10-11H2,1H3
PubChem CID10496243
ChEMBLCHEMBL44711
IUPHARN/A
BindingDB50064206
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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