BDBM24739 (2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}pentyl]-2-(2-phenoxyacetamido)hexanamide::Capped tripeptide aldehyde inhibitor, 27

SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-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=NQTLPUCZJSIEHY-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24739   

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

LigandPNGBDBM24739((2S)-6-amino-N-[(1S)-5-amino-1-{[(2S)-5-carbamimid...)
Affinity DataKi:  19nM ΔG°:  -10.9kcal/mole IC50: 107nMpH: 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 Depth
Date in BDB:
10/13/2008
Entry Details Article
PubMed