Target
Lethal factor
Ligand
BDBM8513
Substrate
Peptide Substrate
Meas. Tech.
Fluorescence Resonance Energy Transfer Assay (FRET)
IC50
40±n/a nM
Citation
 Xiong, YWiltsie, JWoods, AGuo, JPivnichny, JVTang, WBansal, ACummings, RTCunningham, BRFriedlander, AMDouglas, CMSalowe, SPZaller, DMScolnick, EMSchmatz, DMBartizal, KHermes, JDMacCoss, MChapman, 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:
BDBM8513
Synonyms:
(2R)-5-[(aminiumylmethanimidoyl)amino]-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-hydroxypentanamide | hydroxamate analogue 50
Type:
Small organic molecule
Emp. Form.:
C13H21FN5O4S
Mol. Mass.:
362.4
SMILES:
Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCCN=C(N)[NH3+])C(=O)NO |r,w:16.16|
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