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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

NameCHEMBL536800
Molecular formulaC23H30N4O5S
IUPAC nameN-[4-[2-hydroxy-3-[[1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-yl]amino]propoxy]phenyl]methanesulfonamide
Molecular weight474.576
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP1.8
SynonymsN-(4-{2-Hydroxy-3-[2-(4-imidazol-1-yl-phenoxy)-1,1-dimethyl-ethylamino]-propoxy}-phenyl)-methanesulfonamidecompound with 2mol of HCl and 1mol of water
CHEMBL1188606
SCHEMBL8781264
BDBM50015190
Inchi KeyDFMWOTVQIINEOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N4O5S/c1-23(2,16-32-22-10-6-19(7-11-22)27-13-12-24-17-27)25-14-20(28)15-31-21-8-4-18(5-9-21)26-33(3,29)30/h4-13,17,20,25-26,28H,14-16H2,1-3H3
PubChem CID14664348
ChEMBLN/A
IUPHARN/A
BindingDB50015190
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5023000.0 nMPMID2319556BindingDB

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