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GPCR

NameAlpha-2A adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2A
Synonymalpha2D
alpha2A-AR
alpha2A-adrenoceptor
alpha2A-adrenergic receptor
alpha2A
[ Show all ]
DiseaseAttention deficit hyperactivity disorder
Sexual dysfunction
Pain
Length450
Amino acid sequenceMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProtP08913
Protein Data BankN/A
GPCR-HGmod modelP08913
3D structure modelThis predicted structure model is from GPCR-EXP P08913.
BioLiPN/A
Therapeutic Target DatabaseT11448
ChEMBLCHEMBL1867
IUPHAR25
DrugBankBE0000289

Ligand

NameIDAZOXAN
Molecular formulaC11H12N2O2
IUPAC name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Molecular weight204.229
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.7
SynonymsIdazoxane
LS-78447
NCGC00024794-03
SCHEMBL114731
A839791
[ Show all ]
Inchi KeyHPMRFMKYPGXPEP-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
PubChem CID54459
ChEMBLCHEMBL10316
IUPHARN/A
BindingDB50019848
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC508.3 nMPMID10636247BindingDB
IC508.318 nMPMID10636247ChEMBL
Ki1.9 nMPMID1656026BindingDB
Ki7.079 nMPMID18578476, PMID22370341ChEMBL
Ki7.1 nMPMID18578476, PMID22370341BindingDB
Ki8.0 nMPMID17257841PDSP,BindingDB,ChEMBL
Ki9.77 nMPMID9605427BindingDB
Ki9.77237 nMPMID9605427PDSP
pKb7.73 -PMID18578476, PMID22370341ChEMBL

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