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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

NameCHEMBL1945289
Molecular formulaC26H29N3O4S
IUPAC name4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[[(4-methoxyphenyl)methylamino]methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight479.595
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.8
SynonymsBDBM50419704
SCHEMBL1798462
Inchi KeyBSOHYTBASIBPHA-QHCPKHFHSA-N
Inchi IDInChI=1S/C26H29N3O4S/c1-33-20-7-5-18(6-8-20)14-28-15-19-4-2-3-17(13-19)11-12-27-16-23(31)21-9-10-22(30)24-25(21)34-26(32)29-24/h2-10,13,23,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t23-/m0/s1
PubChem CID24900750
ChEMBLCHEMBL1945289
IUPHARN/A
BindingDB50419704
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5010.0 nMPMID22079756BindingDB,ChEMBL

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