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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

NameCHEMBL43046
Molecular formulaC20H31N3O2
IUPAC name1-[4-(2-amino-2-methylpropyl)anilino]-3-(dicyclopropylmethylideneamino)oxypropan-2-ol
Molecular weight345.487
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.4
SynonymsDicyclopropyl-methanone O-{3-[4-(2-amino-2-methyl-propyl)-phenylamino]-2-hydroxy-propyl}-oxime
BDBM50064210
Dicyclopropyl ketone O-[2-hydroxy-3-[[4-(2-methyl-2-aminopropyl)phenyl]amino]propyl]oxime
Inchi KeyIZTIDAFZDKVBPR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H31N3O2/c1-20(2,21)11-14-3-9-17(10-4-14)22-12-18(24)13-25-23-19(15-5-6-15)16-7-8-16/h3-4,9-10,15-16,18,22,24H,5-8,11-13,21H2,1-2H3
PubChem CID10833746
ChEMBLCHEMBL43046
IUPHARN/A
BindingDB50064210
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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