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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

Namebrimonidine
Molecular formulaC11H10BrN5
IUPAC name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Molecular weight292.14
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP0.6
SynonymsSAM002548958
CHEBI:3175
TC-148557
D03ACG
UK 14304
[ Show all ]
Inchi KeyXYLJNLCSTIOKRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
PubChem CID2435
ChEMBLCHEMBL844
IUPHAR520
BindingDB34572
DrugBankDB00484

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
EC500.616595 nMN/ABindingDB
EC500.6166 nMBioorg. Med. Chem. Lett., (1995) 5:19:2255ChEMBL
EC500.86 nMNoneChEMBL
EC504.1 nMPMID9016324BindingDB,ChEMBL
Emax91.0 %NoneChEMBL
IA0.91 -PMID9016324ChEMBL
IC50298.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Intrinsic activity1.0 -Bioorg. Med. Chem. Lett., (1995) 5:19:2255ChEMBL
Ki1.99526 - 199.526 nMPMID9824686, PMID9605427, PMID9760042, PMID9227000IUPHAR
Ki2.7 nMPMID9016324BindingDB,ChEMBL
Ki6.761 nMBioorg. Med. Chem. Lett., (1995) 5:19:2255ChEMBL
Ki112.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki213.796 nMPMID9605427PDSP
Ki213.8 nMPMID9605427BindingDB

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