Reaction Details Report a problem with these data
Target
Lethal factor
Ligand
BDBM11991
Substrate
fluorogenic LF protease substrate III
Meas. Tech.
HPLC Assay
pH
7.2±n/a
Temperature
300.15±n/a K
Ki
1800±n/a nM
IC50
8700±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:
BDBM11991
Synonyms:
8-{N-[4-(2,3-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]carboximidoyl}-2,4-dihydro-1,3-benzodioxine-6-carboxylic acid | chemical diversity library compound 16
Type:
Small organic molecule
Emp. Form.:
C19H17N3O6S2
Mol. Mass.:
447.485
SMILES:
OC(=O)c1cc2COCOc2c(C=Nc2ccc(cc2)S(=O)(=O)NC2SCC=N2)c1 |w:13.14,c:29|
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