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GPCR

NameBeta-2 adrenergic receptor
SpeciesCavia porcellus (Guinea pig)
GeneAdrb2
SynonymBeta-2 adrenoceptor
Beta-2 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMGHLGNGSDFLLAPNASHAPDHNVTRERDEAWVVGMAIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMNMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWVVSGLTSFLPIQMHWYRATHKDAINCYAEETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAKKQLQKIDRSEGRFHTQNLSQVEQDGRSGHGLRRSSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSALKAYGNDCSSNSNGKTDYTGEPNVCHQGQEKERELLCEDPPGTEDLVSCPGTVPSDSIDSQGRNYSTNDSLL
UniProtQ8K4Z4
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5414
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL172042
Molecular formulaC18H20N2O5
IUPAC name1-(3,4,5-trimethoxyanilino)-3,4-dihydroisoquinoline-6,7-diol
Molecular weight344.367
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.9
SynonymsBDBM50422207
1-(3,4,5-Trimethoxyanilino)-3,4-dihydroisoquinoline-6,7-diol
Inchi KeyAPHBGWNPNNHZML-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N2O5/c1-23-15-7-11(8-16(24-2)17(15)25-3)20-18-12-9-14(22)13(21)6-10(12)4-5-19-18/h6-9,21-22H,4-5H2,1-3H3,(H,19,20)
PubChem CID135528684
ChEMBLCHEMBL172042
IUPHARN/A
BindingDB50422207
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pD23.95 -PMID9016331ChEMBL
Potency ratio0.000484 -PMID9016331ChEMBL

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