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Target
Nitroreductase NfsA
Ligand
BDBM50004694
Substrate
n/a
Meas. Tech.
ChEMBL_206006 (CHEMBL840569)
IC50
15000±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:
BDBM50004694
Synonyms:
5-(bis(2-chloroethyl)amino)-2,4-dinitrobenzamide | 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE | 5-[Bis-(2-chloro-ethyl)-amino]-2,4-dinitro-benzamide | CHEMBL281812
Type:
Small organic molecule
Emp. Form.:
C11H12Cl2N4O5
Mol. Mass.:
351.143
SMILES:
NC(=O)c1cc(N(CCCl)CCCl)c(cc1[N+]([O-])=O)[N+]([O-])=O
Structure:
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