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Target
Lethal factor
Ligand
BDBM8452
Substrate
MAPKKide
Meas. Tech.
Fluorescence Peptide Cleavage Assay
pH
7.4±n/a
Temperature
295.15±n/a K
IC50
5900±n/a nM
Citation
 Johnson, SL; Jung, D; Forino, M; Chen, Y; Satterthwait, A; Rozanov, DV; Strongin, AY; Pellecchia, M Anthrax lethal factor protease inhibitors: synthesis, SAR, and structure-based 3D QSAR studies. J Med Chem 49:27-30 (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:
BDBM8452
Synonyms:
2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | Thiazolidinedione analogue 17
Type:
Small organic molecule
Emp. Form.:
C17H9ClF3NO5S
Mol. Mass.:
431.77
SMILES:
OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
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