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GPCR

NameBeta-1 adrenergic receptor
SpeciesRattus norvegicus (Rat)
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 sequenceMGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
UniProtP18090
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3252
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL6749
Molecular formulaC26H36FNO3
IUPAC name1-[4-[2-(cyclobutylmethoxy)ethyl]phenoxy]-3-[4-(4-fluorophenyl)butan-2-ylamino]propan-2-ol
Molecular weight429.576
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50405537
Inchi KeyCGLAXSYMFVYKRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36FNO3/c1-20(5-6-21-7-11-24(27)12-8-21)28-17-25(29)19-31-26-13-9-22(10-14-26)15-16-30-18-23-3-2-4-23/h7-14,20,23,25,28-29H,2-6,15-19H2,1H3
PubChem CID44264509
ChEMBLCHEMBL6749
IUPHARN/A
BindingDB50405537
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Kd2884.03 nMPMID2884312BindingDB,ChEMBL

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