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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

NameMedetomidine
Molecular formulaC13H16N2
IUPAC name5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Molecular weight200.285
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP3.1
Synonyms( -)-4-(alpha,2,3-Trimethylbenzyl)imidazole
1H-Imidazole, 4-[1-(2,3-dimethylphenyl)ethyl]-
86347-15-1 (hydrochloride)
BCP06913
CTK6C1550
[ Show all ]
Inchi KeyCUHVIMMYOGQXCV-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
PubChem CID68602
ChEMBLCHEMBL77921
IUPHARN/A
BindingDB50036913
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503400.0 nMPMID7914537BindingDB,ChEMBL
Ki2.0417 nMPMID11082457PDSP
Ki3.1623 nMPMID11082457PDSP
Ki13.1826 nMPMID9605427PDSP
Ki15.8489 nMPMID11082457PDSP

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