Reaction Details Report a problem with these data
Target
Lethal factor
Ligand
BDBM11987
Substrate
fluorogenic LF protease substrate III
Meas. Tech.
HPLC Assay
pH
7.2±n/a
Temperature
300.15±n/a K
Ki
3100±n/a nM
IC50
4200±n/a nM
Citation
 Schepetkin, IA; Khlebnikov, AI; Kirpotina, LN; Quinn, MT Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening. J Med Chem 49:5232-44 (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:
BDBM11987
Synonyms:
2-hydroxy-5-(5-{[(5Z)-2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid | chemical diversity library compound 12
Type:
Small organic molecule
Emp. Form.:
C18H11N3O5S2
Mol. Mass.:
413.427
SMILES:
OC(=O)c1cc(ccc1O)-c1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)o1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
fluorogenic LF protease substrate III
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA