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GPCR

NameBeta-1 adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRB1
Synonymadrenergic receptor
beta-1 adrenoreceptor
beta-1 adrenergic receptor
ADRB1R
beta1-adrenoceptor
[ Show all ]
DiseaseHigh blood pressure
High blood pressure; Angina
Hypertension
Hypertension; Angina
Hypertension; Angina pectoris
[ 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

NameCHEMBL418308
Molecular formulaC35H32N4O3S2
IUPAC nameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]benzenesulfonamide
Molecular weight620.786
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP6.0
SynonymsSCHEMBL8085550
BDBM50091784
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(4-naphthalen-2-ylmethyl-thiazol-2-yl)-benzenesulfonamide
Inchi KeyADOUHIKUSVYGDB-UMSFTDKQSA-N
Inchi IDInChI=1S/C35H32N4O3S2/c40-34(30-6-3-18-36-22-30)23-37-19-17-25-8-13-31(14-9-25)39-44(41,42)33-15-11-28(12-16-33)35-38-32(24-43-35)21-26-7-10-27-4-1-2-5-29(27)20-26/h1-16,18,20,22,24,34,37,39-40H,17,19,21,23H2/t34-/m0/s1
PubChem CID11556330
ChEMBLCHEMBL418308
IUPHARN/A
BindingDB50091784
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC503300.0 nMPMID10987429BindingDB,ChEMBL

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