Reaction Details Report a problem with these data
Target
Lethal factor
Ligand
BDBM8525
Substrate
MAPKKide
Meas. Tech.
Fluorescence Resonance Energy Transfer Assay (FRET)
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
65±6 nM
Citation
 Jiao, GS; Cregar, L; Goldman, ME; Millis, SZ; Tang, C Guanidinylated 2,5-dideoxystreptamine derivatives as anthrax lethal factor inhibitors. Bioorg Med Chem Lett 16:1527-31 (2006) [PubMed]  Article 
Target
Name:
Lethal factor
Synonyms:
Anthrax Lethal Factor (LF) | Anthrax lethal factor | Antrax lethal toxin | LEF_BACAN | lef | lethal factor
Type:
PROTEIN
Mol. Mass.:
93758.56
Organism:
Bacillus anthracis
Description:
ChEMBL_1460338
Residue:
809
Sequence:
MNIKKEFIKVISMSCLVTAITLSGPVFIPLVQGAGGHGDVGMHVKEKEKNKDENKRKDEERNKTQEEHLKEIMKHIVKIEVKGEEAVKKEAAEKLLEKVPSDVLEMYKAIGGKIYIVDGDITKHISLEALSEDKKKIKDIYGKDALLHEHYVYAKEGYEPVLVIQSSEDYVENTEKALNVYYEIGKILSRDILSKINQPYQKFLDVLNTIKNASDSDGQDLLFTNQLKEHPTDFSVEFLEQNSNEVQEVFAKAFAYYIEPQHRDVLQLYAPEAFNYMDKFNEQEINLSLEELKDQRMLARYEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEKELLKRIQIDSSDFLSTEEKEFLKKLQIDIRDSLSEEEKELLNRIQVDSSNPLSEKEKEFLKKLKLDIQPYDINQRLQDTGGLIDSPSINLDVRKQYKRDIQNIDALLHQSIGSTLYNKIYLYENMNINNLTATLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNYMIVDINERPALDNERLKWRIQLSPDTRAGYLENGKLILQRNIGLEIKDVQIIKQSEKEYIRIDAKVVPKSKIDTKIQEAQLNINQEWNKALGLPKYTKLITFNVHNRYASNIVESAYLILNEWKNNIQSDLIKKVTNYLVDGNGRFVFTDITLPNIAEQYTHQDEIYEQVHSKGLYVPESRSILLHGPSKGVELRNDSEGFIHEFGHAVDDYAGYLLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGRTNEAEFFAEAFRLMHSTDHAERLKVQKNAPKTFQFINDQIKFIINS
  
Inhibitor
Name:
BDBM8525
Synonyms:
4-{[(1S,2R,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-(2,4-dicarbamimidamidophenoxy)cyclohexyl]oxy}benzene-1,3-diguanidine | Guanidinylated 2,5-dideoxystreptamine deriv. 14
Type:
Small organic molecule
Emp. Form.:
C26H42N18O2
Mol. Mass.:
638.7311
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#6]-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]-1-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
MAPKKide
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
358.43
Organism:
n/a
Description:
MAPPKKide is a quenched fluoresent substrate peptide based on fluorescence resonance energy transfer (FRET). The o-aminobenzoic acid is on N terminus and 2, 4-dinitrophenol on C terminus (List Biological Laboratories, Inc, Campbell, CA).
Residue:
3
Sequence:
NA