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GPCR

NameBeta-1 adrenergic receptor
SpeciesSus scrofa (Pig)
GeneADRB1
SynonymBeta-1 adrenoceptor
Beta-1 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length468
Amino acid sequenceMGAGALALGASEPCNLSSAAPLPDGAATAARLLVPASPPASLLTPASEGSVQLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRAARALVCTVWAISALVSFLPILMHWWRDKGAEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGSPARPPSPAPSPGSPLPAAAAAAPVANGRTSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRVARGSCAAAGDGPRASGCLAVARPPPSPGAASDDDDDEEDVGAAPPAPLLEPWAGYNGGAARDSDSSLDERTPGGRASESKV
UniProtQ28998
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4351
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2443009
Molecular formulaC20H30FN5O
IUPAC name1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight375.492
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.8
SynonymsBDBM50442747
Inchi KeyUQNPMHBOQOCPSK-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H30FN5O/c1-27-20-9-5-4-8-19(20)25-14-12-24(13-15-25)16-18-17-26(23-22-18)11-7-3-2-6-10-21/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3
PubChem CID72544566
ChEMBLCHEMBL2443009
IUPHARN/A
BindingDB50442747
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki110.0 nMPMID24100078BindingDB,ChEMBL

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