BDBM12002 (1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-5,6-dihydroxycyclohexane-1,3-diguanidine::1,3-Diguanidinoneamine::Neamine guanidinylated deriv. 19

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@@H](-[#8])-[#6@@H]-1-[#8]

InChI Key InChIKey=GOVFVYJKEXUCKW-UHFFFAOYSA-N

Data  1 KI

  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 = 12002   

TargetLethal factor(Bacillus anthracis)
Hawaii Biotech

LigandPNGBDBM12002(1,3-Diguanidinoneamine | (1R,3S,4R,5R,6S)-4-{[(2R,...)
Affinity DataKi:  5.60E+3nM ΔG°:  -7.09kcal/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