BDBM12008 (1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-carbamimidamido-4,5-dihydroxyoxan-2-yl]oxy}-5,6-dihydroxycyclohexane-1,3-diguanidine::1,3,2-Triguanidinoneamine::Neamine guanidinylated deriv. 23

SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8]

InChI Key InChIKey=PEWXIDWVRDSXFN-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12008   

TargetLethal factor(Bacillus anthracis)
Hawaii Biotech

LigandPNGBDBM12008((1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5S,6R)-6-(aminometh...)
Affinity DataKi:  500nM ΔG°:  -8.50kcal/molepH: 7.4 T: 2°CAssay Description:The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2006
Entry Details Article
PubMed