BDBM24730 (2S)-6-amino-2-[(2S)-6-amino-2-[(2E)-3-phenylprop-2-enamido]hexanamido]-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]hexanamide::Capped tripeptide aldehyde inhibitor, 2

SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O

InChI Key InChIKey=KSBWCWPYOHNRDB-VABKMULXSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24730   

TargetGenome polyprotein [1424-1463]/[1502-1685](West Nile virus (WNV))
University of Queensland

LigandPNGBDBM24730((2S)-6-amino-2-[(2S)-6-amino-2-[(2E)-3-phenylprop-...)
Affinity DataKi:  104nM ΔG°:  -9.90kcal/mole IC50:  580nMpH: 9.5 T: 2°CAssay Description:Inhibition of WNV protease activity was measured using recombinant WNV protease, which first incubated with inhibitor in 96-well plates. Catalysis wa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed