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Target
Botulinum neurotoxin type A2 [1-425]
Ligand
BDBM28875
Substrate
SNAPtide
Meas. Tech.
MAPKKide Assay
IC50
8180±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:
BDBM28875
Synonyms:
2-[(5Z)-5-{[1,3-bis(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | rhodanine derivative, 34
Type:
Small organic molecule
Emp. Form.:
C21H13Cl2N3O3S2
Mol. Mass.:
490.382
SMILES:
OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)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