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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

NameCHEMBL160317
Molecular formulaC28H33NO3
IUPAC name(2S,3S)-3-[3,3-diphenylpropyl(methyl)amino]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
Molecular weight431.576
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.4
SynonymsSCHEMBL10972340
Inchi KeyTXWWQGYSCGBIDM-UIOOFZCWSA-N
Inchi IDInChI=1S/C28H33NO3/c1-29(15-14-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21)25-16-22-18-27(31-2)28(32-3)19-23(22)17-26(25)30/h4-13,18-19,24-26,30H,14-17H2,1-3H3/t25-,26-/m0/s1
PubChem CID44372235
ChEMBLCHEMBL160317
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ED50<3.0 mg.kg-1PMID2435902ChEMBL

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