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GPCR

NameAlpha-2A adrenergic receptor
SpeciesSus scrofa (Pig)
GeneADRA2A
SynonymAlpha-2A adrenoceptor
Alpha-2A adrenoreceptor
Alpha-2AAR
DiseaseN/A for non-human GPCRs
Length450
Amino acid sequenceMGSLQPEAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKAGGGGQQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAAAALPGGAERRPNGLGPERGVGRVGAEAEPLPVQLNGAPGEPAPAGPRDADGLDLEESSSSEHAERPPGPRRSERGPRAKSKARASQVKPGDSLPRRGPGAPGPGAPATGAGEERGGVAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPPTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProtP18871
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2350
IUPHARN/A
DrugBankN/A

Ligand

NameD0V8NS
Molecular formulaC25H30N2O3
IUPAC name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylnaphthalene-1,3-dione
Molecular weight406.526
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM81772
GTPL524
CAS_122211
NSC_122211
2-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,3-dione
Inchi KeyOSEADGVOKYGIER-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3
PubChem CID122211
ChEMBLN/A
IUPHAR524
BindingDB81772
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki365.0 nMPMID7965790PDSP,BindingDB

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