Reaction Details Report a problem with these data
Target
Lethal factor
Ligand
BDBM8491
Substrate
Peptide Substrate
Meas. Tech.
Fluorescence Resonance Energy Transfer Assay (FRET)
IC50
1310±n/a nM
Citation
 Xiong, Y; Wiltsie, J; Woods, A; Guo, J; Pivnichny, JV; Tang, W; Bansal, A; Cummings, RT; Cunningham, BR; Friedlander, AM; Douglas, CM; Salowe, SP; Zaller, DM; Scolnick, EM; Schmatz, DM; Bartizal, K; Hermes, JD; MacCoss, M; Chapman, KT The discovery of a potent and selective lethal factor inhibitor for adjunct therapy of anthrax infection. Bioorg Med Chem Lett 16:964-8 (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:
BDBM8491
Synonyms:
(2R)-2-{[4-fluoro-2-(hydroxymethyl)benzene]sulfonamido}-N-hydroxy-3-methylbutanamide | hydroxamate analogue 28
Type:
Small organic molecule
Emp. Form.:
C12H17FN2O5S
Mol. Mass.:
320.337
SMILES:
CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1CO)C(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide Substrate
Synonyms:
(Cou)Consensus(K(QSY-35)GG)-NH2
Type:
Peptide
Mol. Mass.:
9139.37
Organism:
n/a
Description:
n/a
Residue:
78
Sequence:
HYDRYMETHYLACETYLCMARINYLNLEKKKKVLPIQLNAATDKNNITRENADIALYLAMINPHENYLACETYLGGNH