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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

NameCHEMBL250352
Molecular formulaC21H25N3O3
IUPAC name(1R)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
Molecular weight367.449
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50218167
SCHEMBL6329010
(R)-2-(2-(4-(2-isopropyloxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
Inchi KeyBFBYARFWWVASFC-FQEVSTJZSA-N
Inchi IDInChI=1S/C21H25N3O3/c1-15(2)21-24-19(14-27-21)16-5-7-18(8-6-16)26-11-10-23-13-20(25)17-4-3-9-22-12-17/h3-9,12,14-15,20,23,25H,10-11,13H2,1-2H3/t20-/m0/s1
PubChem CID10292413
ChEMBLCHEMBL250352
IUPHARN/A
BindingDB50218167
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Intrinsic activity>10.0 %PMID17632003ChEMBL
Ki360.0 nMPMID17632003BindingDB,ChEMBL

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