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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

NameCHEMBL1202033
Molecular formulaC30H35NO7
IUPAC name(2S,3S)-N-(3,3-diphenylpropyl)-3,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
Molecular weight521.61
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyNVBJLZTUKDJVGX-CCQIZPNASA-N
Inchi IDInChI=1S/C28H33NO3.C2H2O4/c1-30-26-17-23-19-28(32-3)27(31-2)18-22(23)16-25(26)29-15-14-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;3-1(4)2(5)6/h4-13,18-19,24-26,29H,14-17H2,1-3H3;(H,3,4)(H,5,6)/t25-,26-;/m0./s1
PubChem CID49859864
ChEMBLCHEMBL1202033
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
ED50<3.0 mg.kg-1PMID2435902ChEMBL

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