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GPCR

NameBeta-1 adrenergic receptor
SpeciesMus musculus (Mouse)
GeneAdrb1
Synonymadrenergic receptor
beta1-adrenoceptor
Beta-1 adrenoreceptor
Beta-1 adrenoceptor
beta-1 adrenergic receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPEPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGTTPPARLLEPWTGCNGGTTTVDSDSSLDEPGRQGFSSESKV
UniProtP34971
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3440
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3799427
Molecular formulaC26H31NO5
IUPAC name4-[(1S)-1-hydroxy-2-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]ethyl]benzene-1,2-diol
Molecular weight437.536
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP4.1
SynonymsBDBM50167068
Inchi KeyPGSGTPNUOJTSEM-XMMPIXPASA-N
Inchi IDInChI=1S/C26H31NO5/c1-31-26-16-20(9-12-25(26)32-15-5-8-19-6-3-2-4-7-19)13-14-27-18-24(30)21-10-11-22(28)23(29)17-21/h2-4,6-7,9-12,16-17,24,27-30H,5,8,13-15,18H2,1H3/t24-/m1/s1
PubChem CID127046951
ChEMBLCHEMBL3799427
IUPHARN/A
BindingDB50167068
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki530.0 nMPMID27132867BindingDB,ChEMBL

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