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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

Nameclonidine
Molecular formulaC9H9Cl2N3
IUPAC nameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
Molecular weight230.092
Hydrogen bond acceptor1
Hydrogen bond donor2
XlogP1.6
SynonymsST-155-BS
ZB015091
KBio2_005444
KBioSS_001821
M-5041T
[ Show all ]
Inchi KeyGJSURZIOUXUGAL-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
PubChem CID2803
ChEMBLCHEMBL134
IUPHAR516
BindingDB50016897
DrugBankDB00575

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
EC508.1 nMN/ABindingDB
EC508.128 nMBioorg. Med. Chem. Lett., (1994) 4:19:2317ChEMBL
EC508.3 nMPMID20925410BindingDB
EC508.318 nMPMID20925410ChEMBL
EC5010.0 nMNoneChEMBL
EC5028.0 nMPMID21129985BindingDB,ChEMBL
EC5030.0 nMPMID22172308, PMID27265687BindingDB,ChEMBL
EC5030.2 nMPMID27265687ChEMBL
Emax51.0 %PMID22172308ChEMBL
Emax94.0 %NoneChEMBL
IC50280.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Intrinsic activity0.9 -PMID20925410ChEMBL
Intrinsic activity41.0 %PMID27265687ChEMBL
Intrinsic activity53.0 %PMID21129985ChEMBL
Ki0.630958 - 63.0958 nMPMID9824686, PMID9605427, PMID9760042IUPHAR
Ki3.8 nMPMID8784451, PMID8632424BindingDB,ChEMBL
Ki7.9 nMN/ABindingDB
Ki7.943 nMBioorg. Med. Chem. Lett., (1994) 4:19:2317ChEMBL
Ki8.7 nMPMID22750139BindingDB
Ki8.71 nMPMID22750139ChEMBL
Ki28.0 nMPMID27265687BindingDB,ChEMBL
Ki31.6228 nMPMID11082457PDSP,BindingDB
Ki35.4813 nMPMID11082457PDSP,BindingDB
Ki50.1187 nMPMID11082457PDSP,BindingDB
Ki61.6595 nMPMID9605427PDSP
Ki61.66 nMPMID9605427BindingDB
Ki105.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki853.0 nMPMID10715142BindingDB,ChEMBL

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