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GPCR

NameAlpha-2A adrenergic receptor
SpeciesBos taurus (Bovine)
GeneADRA2A
SynonymAlpha-2A adrenoceptor
Alpha-2A adrenoreceptor
Alpha-2AAR
Alpha-2D adrenergic receptor
DiseaseN/A for non-human GPCRs
Length452
Amino acid sequenceMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISFEKKRGRSGQPSAEPRCEINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDATAAELPGSAERRPNGLGPERGGVGPVGAEVESLQVQLNGAPGEPAPAGAGADALDLEESSSSEHAERPPGSRRSERGPRAKGKARASQVKPGDSLPRRGPGATGLGAPTAGPAEERSGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAIGCPVPPTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProtQ28838
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4744
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL348538
Molecular formulaC12H16N2
IUPAC name6,8,9,10,11,11a-hexahydro-5H-pyrido[1,2-h][1,7]naphthyridine
Molecular weight188.274
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP1.6
Synonyms112114-03-1
5,6,7,8,9,10-Hexahydro-4bH-4,8a-diaza-phenanthrene
BDBM50018735
5,8,9,10,11,11a-hexahydro-6H-pyrido[1,2-h]-1,7-naphthyridine
Inchi KeyJWBLYAGFFUSJCB-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N2/c1-2-8-14-9-6-10-4-3-7-13-12(10)11(14)5-1/h3-4,7,11H,1-2,5-6,8-9H2
PubChem CID14004032
ChEMBLCHEMBL348538
IUPHARN/A
BindingDB50018735
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1995.0 nMPMID2831365BindingDB
Ki1995.26 nMPMID2831365ChEMBL
Ki2000.0 nMPMID2831365BindingDB,ChEMBL

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