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GPCR

NameBeta-1 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB1
SynonymAdrenergic receptor beta 1
Adrb-1
ADRB1R
adrenergic receptor
beta 1-AR
[ Show all ]
DiseaseHeart failure; Cardiogenic shock
Heart failure
Glaucoma
Diabetes
Coronary artery disease
[ Show all ]
Length477
Amino acid sequenceMGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProtP08588
Protein Data BankN/A
GPCR-HGmod modelP08588
3D structure modelThis predicted structure model is from GPCR-EXP P08588.
BioLiPN/A
Therapeutic Target DatabaseT44068
ChEMBLCHEMBL213
IUPHAR28
DrugBankBE0000172

Ligand

NameCHEMBL35226
Molecular formulaC21H29N3O
IUPAC name5-[(1-propylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
Molecular weight339.483
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
Synonyms6-(1-Propylpiperidine-4-ylmethoxy)-7,8,9,10-tetrahydro-10-azabenzo[c]quinoline
5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahydro-benzo[h][1,6]naphthyridine
BDBM50122716
L021962
Inchi KeyUTMXFLLOSBJGIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O/c1-2-12-24-13-9-16(10-14-24)15-25-21-18-7-5-11-22-20(18)17-6-3-4-8-19(17)23-21/h3-4,6,8,16,22H,2,5,7,9-15H2,1H3
PubChem CID9881053
ChEMBLCHEMBL35226
IUPHARN/A
BindingDB50122716
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition0.0 %PMID12502367ChEMBL
Inhibition39.0 %PMID12502367ChEMBL

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