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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

NameCHEMBL95754
Molecular formulaC21H29N3O4S
IUPAC nameN-[4-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]phenyl]methanesulfonamide
Molecular weight419.54
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.2
SynonymsN-{4-[4-(2-Hydroxy-3-o-tolyloxy-propyl)-piperazin-1-yl]-phenyl}-methanesulfonamide
1-[4-[4-(Methylsulfonylamino)phenyl]-1-piperazinyl]-3-(2-methylphenoxy)-2-propanol
SCHEMBL8781167
BDBM50010842
Inchi KeyHHBPPZCDEAGVIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O4S/c1-17-5-3-4-6-21(17)28-16-20(25)15-23-11-13-24(14-12-23)19-9-7-18(8-10-19)22-29(2,26)27/h3-10,20,22,25H,11-16H2,1-2H3
PubChem CID14739901
ChEMBLCHEMBL95754
IUPHARN/A
BindingDB50010842
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC506600.0 nMPMID1976812BindingDB,ChEMBL

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