Reaction Details  Report a problem with these data
Target
Lethal factor
Ligand
BDBM8414
Substrate
MAPKKide
Meas. Tech.
Fluorescence Peptide Cleavage Assay
pH
7.4±n/a
Temperature
295.15±n/a K
IC50
300000±n/a nM
Citation
 Forino, M; Johnson, S; Wong, TY; Rozanov, DV; Savinov, AY; Li, W; Fattorusso, R; Becattini, B; Orry, AJ; Jung, D; Abagyan, RA; Smith, JW; Alibek, K; Liddington, RC; Strongin, AY; Pellecchia, M Efficient synthetic inhibitors of anthrax lethal factor. Proc Natl Acad Sci U S A 102:9499-504 (2005) [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:
BDBM8414
Synonyms:
(5Z)-3-(4-methoxyphenyl)-2-sulfanylidene-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-4-one | Rhodanine-furan analogue 1
Type:
Small organic molecule
Emp. Form.:
C22H14F3NO3S2
Mol. Mass.:
461.477
SMILES:
COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)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