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Target
Nitroreductase NfsA
Ligand
BDBM50057438
Substrate
n/a
Meas. Tech.
ChEMBL_206006 (CHEMBL840569)
IC50
3400±n/a nM
Citation
 Friedlos, F; Denny, WA; Palmer, BD; Springer, CJ Mustard prodrugs for activation by Escherichia coli nitroreductase in gene-directed enzyme prodrug therapy. J Med Chem 40:1270-5 (1997) [PubMed]  Article 
Target
Name:
Nitroreductase NfsA
Synonyms:
Modulator of drug activity A
Type:
PROTEIN
Mol. Mass.:
26851.30
Organism:
Escherichia coli O157:H7
Description:
ChEMBL_206006
Residue:
240
Sequence:
MTPTIELTCGHRSIRHFTDEPISEAQREAIINSARATSSSSFLQCSSIIRITDKALREELVTLTGGQKHVAQAAEFWVFCADFNRHLQICPDAQLGLAEQLLLGVVDTAMMAQNALTAAESLGLGGVYIGGLRNNIEAVTKLLKLPQHVLPLFGLCLGWPADNPDLKPRLPSSILVHENSYQPLDKDALAQYDEQLAEYYLTRGSNNRRDTWSDHIRRTIIKESRPFILDYLHKQGWATR
  
Inhibitor
Name:
BDBM50057438
Synonyms:
5-[(2-Chloro-ethyl)-(2-methanesulfonyl-ethyl)-amino]-2,4-dinitro-benzamide | CHEMBL23558
Type:
Small organic molecule
Emp. Form.:
C12H15ClN4O7S
Mol. Mass.:
394.788
SMILES:
CS(=O)(=O)CCN(CCCl)c1cc(C(N)=O)c(cc1[N+]([O-])=O)[N+]([O-])=O
Structure:
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