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Target
Lethal factor
Ligand
BDBM8471
Substrate
Peptide Substrate
Meas. Tech.
Fluorescence Resonance Energy Transfer Assay (FRET)
pH
7±n/a
Temperature
295.15±n/a K
IC50
2100±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:
BDBM8471
Synonyms:
(2R)-N-hydroxy-2-[(4-methoxybenzene)[2-(thiophen-3-yl)ethyl]sulfonamido]-3-methylbutanamide | hydroxamate analogue 8
Type:
Small organic molecule
Emp. Form.:
C18H24N2O5S2
Mol. Mass.:
412.524
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CCc1ccsc1)[C@H](C(C)C)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