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GPCR

NameBeta-1 adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdrb1
Synonymadrenergic receptor
beta1-adrenoceptor
Beta-1 adrenoreceptor
Beta-1 adrenoceptor
beta-1 adrenergic receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length466
Amino acid sequenceMGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
UniProtP18090
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3252
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL32670
Molecular formulaC19H23ClN2O4
IUPAC name2-[2-chloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid
Molecular weight378.853
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP0.6
SynonymsBDBM50409468
SCHEMBL7102027
[[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-6-chlorophenyl]amino]acetic acid
Inchi KeyGLYJSFOAMOWVFN-BUXKBTBVSA-N
Inchi IDInChI=1S/C19H23ClN2O4/c1-12(19(26)14-3-5-15(23)6-4-14)21-9-8-13-2-7-17(16(20)10-13)22-11-18(24)25/h2-7,10,12,19,21-23,26H,8-9,11H2,1H3,(H,24,25)/t12-,19-/m0/s1
PubChem CID9929683
ChEMBLCHEMBL32670
IUPHARN/A
BindingDB50409468
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
-Log EC205.57 -PMID11311067ChEMBL

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