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Target
Nitroreductase NfsA
Ligand
BDBM50057444
Substrate
n/a
Meas. Tech.
ChEMBL_206006 (CHEMBL840569)
IC50
1900±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:
BDBM50057444
Synonyms:
5-(bis(2-iodoethyl)amino)-N-(2,3-dihydroxypropyl)-2,4-dinitrobenzamide | 5-[Bis-(2-iodo-ethyl)-amino]-N-(2,3-dihydroxy-propyl)-2,4-dinitro-benzamide | CHEMBL23355
Type:
Small organic molecule
Emp. Form.:
C14H18I2N4O7
Mol. Mass.:
608.1243
SMILES:
OCC(O)CNC(=O)c1cc(N(CCI)CCI)c(cc1[N+]([O-])=O)[N+]([O-])=O
Structure:
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