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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

Nameisoproterenol
Molecular formulaC11H17NO3
IUPAC name4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
Molecular weight211.261
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP-0.6
SynonymsBENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+-)-
(+)-Isoproterenol
CCG-204796
(S)-(+)-Isoproterenol
d-N-Isopropylnorepinephrine
[ Show all ]
Inchi KeyJWZZKOKVBUJMES-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
PubChem CID3779
ChEMBLCHEMBL434
IUPHAR536
BindingDB25392
DrugBankDB01064

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5028.84 nMPMID23375225ChEMBL
EC5031.62 nMPMID22297114, PMID24300734BindingDB,ChEMBL
EC5031.64 nMPMID24300734ChEMBL
EC5032.0 nMPMID24300734BindingDB
EC5058.0 nMPMID1672155BindingDB,ChEMBL
ED502.1 10'-8MPMID619150ChEMBL
ED507.1 nMPMID20504ChEMBL
ED507.8 10'-8MPMID619150ChEMBL
Emax100.0 %PMID23375225ChEMBL
IA1.0 -PMID8230093ChEMBL
Intrinsic activity1.0 -PMID20504, PMID1313109ChEMBL
Kd17.78 nMPMID25592716ChEMBL
Kd18.0 nMPMID25592716BindingDB
Kd25.0 nMPMID25592716BindingDB
Kd25.12 nMPMID25592716ChEMBL
Ki107.15 nMPMID7915318BindingDB
Ki323.59 nMPMID7915318BindingDB
pD27.1 -PMID619150ChEMBL
pD28.33 -PMID8230093, PMID1313109ChEMBL

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