Reaction Details Report a problem with these data
Target
Lethal factor
Ligand
BDBM11990
Substrate
fluorogenic LF protease substrate III
Meas. Tech.
HPLC Assay
pH
7.2±n/a
Temperature
300.15±n/a K
Ki
5400±n/a nM
IC50
10800±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:
BDBM11990
Synonyms:
4-(5-{[(3E)-5-cyano-2-hydroxy-4-methyl-6-oxo-3,6-dihydropyridin-3-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide | chemical diversity library compound 15
Type:
Small organic molecule
Emp. Form.:
C18H13N3O5S
Mol. Mass.:
383.378
SMILES:
NS(=O)(=O)c1ccc(cc1)-c1ccc(C=c2c(=O)[nH]c(O)c(C#N)c2=C)o1 |w:14.14|
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