Reaction Details Report a problem with these data
Target
Lethal factor
Ligand
BDBM27867
Substrate
Fluorogenic LF Substrate
Meas. Tech.
Fluorescence Peptide Cleavage Assay
pH
7±n/a
Temperature
298.15±n/a K
IC50
>50000±n/a nM
Comments
Determination of a more accurate IC50 value was precluded by the limited solubility of this compound.
Citation
 Agrawal, A; de Oliveira, CA; Cheng, Y; Jacobsen, JA; McCammon, JA; Cohen, SM Thioamide Hydroxypyrothiones Supersede Amide Hydroxypyrothiones in Potency against Anthrax Lethal Factor. J Med Chem 52:1063-74 (2009) [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:
BDBM27867
Synonyms:
1-hydroxy-N-[(4-phenylphenyl)methyl]-6-sulfanylidene-1,6-dihydropyridine-2-carboxamide | N-hydroxypyridinethione amide, 9b
Type:
Small organic molecule
Emp. Form.:
C19H16N2O2S
Mol. Mass.:
336.408
SMILES:
On1c(cccc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorogenic LF Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
6797.59
Organism:
n/a
Description:
Cou = 7-Hydroxy-4-methyl-3-acetylcoumarinyl; QSY-35 = N-((4-((7-Nitro-2,1,3-benzoxzdiazol-4-yl)amino)phenyl)acetyl.
Residue:
61
Sequence:
CNNLELYSLYSLYSLYSVALLEPRILEGLNLEASNALAALATHRASPLYSQSYGLYGLYNH