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I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameAlpha-2A adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2A
Synonymalpha2A-AR
Adra-2a
Alpha-2A adrenoreceptor
Alpha-2 adrenergic receptor subtype C10
Alpha-2AAR
[ Show all ]
DiseaseAttention deficit hyperactivity disorder
Pain
Sexual dysfunction
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

NameCHEMBL373535
Molecular formulaC16H17N3O
IUPAC name3-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]pyridine
Molecular weight267.332
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.9
SynonymsBDBM50002905
SCHEMBL17722365
Inchi KeyAFWQDDUMQAQVSC-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
PubChem CID11265631
ChEMBLCHEMBL373535
IUPHARN/A
BindingDB50002905
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50316.0 nMPMID17630725BindingDB
EC50316.23 nMPMID15566287, PMID17630725ChEMBL
EC50588.84 nMPMID15566287ChEMBL
Intrinsic activity0.5 -PMID15566287, PMID17630725ChEMBL
Ki138.0 nMPMID17630725BindingDB
Ki138.04 nMPMID15566287, PMID17630725ChEMBL

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