BDBM11998 (1R,2S,3R,4R,5S)-5-amino-4-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-2,3-dihydroxycyclohexane-1-guanidine::1-Guanidinoneamine::Neamine guanidinylated deriv. 9
SMILES: [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8]
InChI Key: InChIKey=QTRIISZARNPMOS-KXJULSOVSA-N
Data: 1 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Anthrax Lethal Factor (LF) (Bacillus anthracis) | BDBM11998 ((1R,2S,3R,4R,5S)-5-amino-4-{[(2R,3R,4R,5S,6R)-3-am...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.00E+3 | -7.15 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Hawaii Biotech Inc. | Assay Description The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o... | Bioorg Med Chem Lett 16: 5183-9 (2006) Article DOI: 10.1016/j.bmcl.2006.07.005 BindingDB Entry DOI: 10.7270/Q2VQ30WD | |||||||||||
More data for this Ligand-Target Pair |