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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

NameAtipamezole
Molecular formulaC14H16N2
IUPAC name5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole
Molecular weight212.296
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP3.0
SynonymsAC-1614
Antisedan
Atipamezole, >=98% (HPLC)
CAS-104054-27-5
DSSTox_CID_29061
[ Show all ]
Inchi KeyHSWPZIDYAHLZDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
PubChem CID71310
ChEMBLCHEMBL353972
IUPHARN/A
BindingDB81807
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.33 nMPMID1656026BindingDB
Ki1.2 nMPMID27265687BindingDB,ChEMBL
Ki1.862 nMPMID20809632ChEMBL
Ki1.9 nMPMID20809632BindingDB
Ki3.162 nMPMID11262089ChEMBL
pKb8.05 -PMID20809632ChEMBL
pKB8.9 -PMID11262089ChEMBL

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