Reaction Details Report a problem with these data
Target
Botulinum neurotoxin type A2 [1-425]
Ligand
BDBM28884
Substrate
SNAPtide
Meas. Tech.
MAPKKide Assay
IC50
20100±n/a nM
Citation
 Johnson, SL; Chen, LH; Harbach, R; Sabet, M; Savinov, A; Cotton, NJ; Strongin, A; Guiney, D; Pellecchia, M Rhodanine derivatives as selective protease inhibitors against bacterial toxins. Chem Biol Drug Des 71:131-9 (2008) [PubMed]  Article 
Target
Name:
Botulinum neurotoxin type A2 [1-425]
Synonyms:
BXA2_CLOBJ | BoNT/A LC | Botulinum Neurotoxin Type A | Botulinum neurotoxin A light chain | atx | bna | bonT | bont/a2 | botA
Type:
Metalloprotease
Mol. Mass.:
48687.43
Organism:
Clostridium botulinum
Description:
Recombinant C. botulinum LC/A (1-425) was expressed in E. coli.
Residue:
425
Sequence:
MPFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHDVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAEHRLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDVASTLNKAKSIIGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVNFFKVINRKTYLNFDKAVFRINIVPDENYTIKDGFNLKGANLSTNFNGQNTEINSRNFTRLKNFTGLFEF
  
Inhibitor
Name:
BDBM28884
Synonyms:
2-[(5Z)-4-oxo-5-({1-phenyl-3-[4-(piperidine-1-sulfonyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid | rhodanine derivative, 43
Type:
Small organic molecule
Emp. Form.:
C26H26N4O6S4
Mol. Mass.:
618.768
SMILES:
OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCCCC2)-c2ccccc2)C1=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
SNAPtide
Synonyms:
n/a
Type:
Fluorogenic Substrate
Mol. Mass.:
358.43
Organism:
n/a
Description:
Peptide derived from synaptosomes associated protein, SNAP-25. (U.S. Patent #6504006. List Biological Laboratories, Inc., Campbell, CA.).
Residue:
3
Sequence:
NA