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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

NameCHEMBL109288
Molecular formulaC19H26ClN3O3S
IUPAC name(1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol
Molecular weight411.945
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.3
SynonymsSCHEMBL6335077
BDBM50147437
N''methyl-[4-(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)phenyl]-N,N-dimethylsulfamide
Inchi KeyAULBTWGSEOLSAY-IBGZPJMESA-N
Inchi IDInChI=1S/C19H26ClN3O3S/c1-22(2)27(25,26)23(3)18-9-7-15(8-10-18)11-12-21-14-19(24)16-5-4-6-17(20)13-16/h4-10,13,19,21,24H,11-12,14H2,1-3H3/t19-/m0/s1
PubChem CID10295131
ChEMBLCHEMBL109288
IUPHARN/A
BindingDB50147437
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IA2.0 -PMID15149682ChEMBL

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