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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

NameCHEMBL3800468
Molecular formulaC29H32N2O5
IUPAC name8-hydroxy-5-[(1S)-1-hydroxy-2-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]ethyl]-1H-quinolin-2-one
Molecular weight488.584
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.9
SynonymsBDBM50167067
Inchi KeyPNROEQYQIZJINW-RUZDIDTESA-N
Inchi IDInChI=1S/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/m1/s1
PubChem CID127046948
ChEMBLCHEMBL3800468
IUPHARN/A
BindingDB50167067
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki300.0 nMPMID27132867BindingDB,ChEMBL

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