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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

NameCHEMBL2443001
Molecular formulaC22H34FN5O4
IUPAC name1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight451.543
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP1.0
SynonymsBDBM50442755
Inchi KeyWTAVHOMZPZTGNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H34FN5O4/c1-29-22-5-3-2-4-21(22)27-9-7-26(8-10-27)18-20-19-28(25-24-20)11-13-31-15-17-32-16-14-30-12-6-23/h2-5,19H,6-18H2,1H3
PubChem CID72545008
ChEMBLCHEMBL2443001
IUPHARN/A
BindingDB50442755
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1300.0 nMPMID24100078BindingDB,ChEMBL

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