BDBM12012 (1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5R,6R)-3-carbamimidamido-6-(carbamimidamidomethyl)-4,5-dimethoxyoxan-2-yl]oxy}-5,6-dimethoxycyclohexane-1,3-diguanidine::1,3,2,6-Tetraguanidino-5,6,3,4-tetramethoxylneamine::Neamine guanidinylated deriv. 29

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

InChI Key InChIKey=DDPWNYDFUBXVGQ-MLFNNEOSSA-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 = 12012   

TargetLethal factor(Bacillus anthracis)
Hawaii Biotech

LigandPNGBDBM12012((1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5R,6R)-3-carbamimid...)
Affinity DataKi:  1.50E+3nM ΔG°:  -7.86kcal/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 DepthDetails ArticlePubMed