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Target
Lethal factor
Ligand
BDBM42055
Substrate
n/a
Meas. Tech.
ChEMBL_795993 (CHEMBL1936265)
IC50
>100000±n/a nM
Citation
 Li, B; Cardinale, SC; Butler, MM; Pai, R; Nuss, JE; Peet, NP; Bavari, S; Bowlin, TL Time-dependent botulinum neurotoxin serotype A metalloprotease inhibitors. Bioorg Med Chem 19:7338-48 (2011) [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:
BDBM42055
Synonyms:
(E)-2-(1H-benzimidazol-2-yl)-3-(2-thienyl)acrylonitrile | (E)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-yl-2-propenenitrile | (E)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-yl-prop-2-enenitrile | (E)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile | 2-(1H-Benzoimidazol-2-yl)-3-thiophen-2-yl-acrylonitrile | MLS000567024 | SMR000175048 | cid_5334847
Type:
Small organic molecule
Emp. Form.:
C14H9N3S
Mol. Mass.:
251.306
SMILES:
N#C\C(=C/c1cccs1)c1nc2ccccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: