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I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ 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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameMLS003122084
Molecular formulaC24H24N4O4
IUPAC name4-[(3,5-dimethoxyphenyl)methyl]-6-(2-phenylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazin-5-one
Molecular weight432.48
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.3
SynonymsSMR001276449
CHEMBL2132482
Inchi KeyAGTHYBJHCXERNU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24N4O4/c1-30-19-12-18(13-20(14-19)31-2)16-28-23(21-15-25-10-11-26-21)27-32-22(24(28)29)9-8-17-6-4-3-5-7-17/h3-7,10-15,22H,8-9,16H2,1-2H3
PubChem CID49778627
ChEMBLCHEMBL2132482
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
5187Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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