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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

NameCHEMBL40272
Molecular formulaC15H21N3O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol
Molecular weight275.352
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.8
SynonymsDicyclopropyl-methanone O-[2-hydroxy-3-(pyridin-2-ylamino)-propyl]-oxime
BDBM50064223
Dicyclopropyl ketone O-[2-hydroxy-3-(2-pyridinylamino)propyl]oxime
Inchi KeyDJGNUIYWRRODTA-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21N3O2/c19-13(9-17-14-3-1-2-8-16-14)10-20-18-15(11-4-5-11)12-6-7-12/h1-3,8,11-13,19H,4-7,9-10H2,(H,16,17)
PubChem CID10778795
ChEMBLCHEMBL40272
IUPHARN/A
BindingDB50064223
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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