Target
Botulinum neurotoxin type A2 [1-425]
Ligand
BDBM28904
Substrate
SNAPtide
Meas. Tech.
SNAPtide Assay
IC50
>200000±n/a nM
Citation
 Johnson, SLChen, LHHarbach, RSabet, MSavinov, ACotton, NJStrongin, AGuiney, DPellecchia, 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:
BDBM28904
Synonyms:
2-{5-[(3Z)-1-{[(3-methylphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid | rhodanine derivative, 63
Type:
Small organic molecule
Emp. Form.:
C22H17N3O5S2
Mol. Mass.:
467.517
SMILES:
Cc1cccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CC(O)=O)C3=O)c3ccccc23)c1
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