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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

Namefenfluramine
Molecular formulaC12H16F3N
IUPAC nameN-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Molecular weight231.262
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsEINECS 207-276-3
Fenfluramine (-)
FT-0603398
1-(m-trifluoromethyl-phenyl)-2-ethylaminopropane
LS-103506
[ Show all ]
Inchi KeyDBGIVFWFUFKIQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
PubChem CID3337
ChEMBLN/A
IUPHARN/A
BindingDB84738
DrugBankDB00574

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki373.0 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP
Ki531.0 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP
Ki804.0 nMhttp://pdsp.med.unc.edu/pdsp.phpPDSP

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