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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

NameCHEMBL229400
Molecular formulaC17H22N2O3
IUPAC name5-[(1S)-2-[[(2S)-1-(4-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
Molecular weight302.374
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP1.6
Synonyms(S,S)-(+)-5-[1-hydroxy-2-(1-methyl-2-phenylethylamino)ethyl]-1,3-benzenediol
BDBM50213104
Inchi KeyDQBZJEHRQMHGPO-APPDUMDISA-N
Inchi IDInChI=1S/C17H22N2O3/c1-11(6-12-2-4-14(18)5-3-12)19-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17,19-22H,6,10,18H2,1H3/t11-,17+/m0/s1
PubChem CID16735492
ChEMBLCHEMBL229400
IUPHARN/A
BindingDB50213104
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<100000.0 nMPMID17506540BindingDB,ChEMBL

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