Reaction Details Report a problem with these data
Target
Lethal factor
Ligand
BDBM12001
Substrate
MAPKKide
Meas. Tech.
Fluorescence Resonance Energy Transfer Assay (FRET)
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
24300±600 nM
Citation
 Jiao, GS; Simo, O; Nagata, M; O'Malley, S; Hemscheidt, T; Cregar, L; Millis, SZ; Goldman, ME; Tang, C Selectively guanidinylated derivatives of neamine. Syntheses and inhibition of anthrax lethal factor protease. Bioorg Med Chem Lett 16:5183-9 (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:
BDBM12001
Synonyms:
3-{[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxyoxan-2-yl]methyl}guanidine | 6-Guanidinoneamine | Neamine guanidinylated deriv. 7
Type:
Small organic molecule
Emp. Form.:
C13H28N6O6
Mol. Mass.:
364.398
SMILES:
[#7]-[#6@@H]-1-[#6]-[#6@H](-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |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 C-terminally linked fluorophore of MAPKKide is a FITC, and the acceptor chromophore is 4-([4-(dimethylamino)-phenyl] azo) benzoic acid (DABCYL) (List Biological Laboratories, Inc, Campbell, CA).
Residue:
3
Sequence:
NA