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GPCR

NameBeta-2 adrenergic receptor
SpeciesRattus norvegicus (Rat)
GeneAdrb2
Synonymbeta2-adrenoceptor
Beta-2 adrenoreceptor
Beta-2 adrenoceptor
beta-2 adrenergic receptor
beta 2-AR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProtP10608
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3754
IUPHAR29
DrugBankN/A

Ligand

Namealprenolol
Molecular formulaC15H23NO2
IUPAC name1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Molecular weight249.354
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.1
SynonymsH-56-28
(-)-1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol
KBio3_001872
1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol
NCGC00015099-03
[ Show all ]
Inchi KeyPAZJSJFMUHDSTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
PubChem CID2119
ChEMBLCHEMBL266195
IUPHAR563
BindingDB25764
DrugBankDB00866

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kapp0.02 uMPMID37339ChEMBL
Ki0.5 nMPMID8584042BindingDB
Ki0.58 nMPMID1968985BindingDB

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