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GPCR

NameBeta-2 adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRB2
SynonymBeta-2 adrenoceptor
Beta-2 adrenoreceptor
DiseaseN/A for non-human GPCRs
Length418
Amino acid sequenceMGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProtQ28044
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3373
IUPHARN/A
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
SynonymsSPBio_001827
ALPRENOLOL,(-)
Tox21_110084_1
Atenenol
CCG-204247
[ 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
-Delta G13.35 -PMID2836587ChEMBL
IC502.98 nMPMID6126588BindingDB,ChEMBL
Ratio0.61 -PMID6126588ChEMBL

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