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Target
Nitroreductase NfsA
Ligand
BDBM50051701
Substrate
n/a
Meas. Tech.
ChEMBL_206006 (CHEMBL840569)
IC50
895000.0±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:
BDBM50051701
Synonyms:
3-[Bis-(2-chloro-ethyl)-amino]-N-(2-dimethylamino-ethyl)-2,6-dinitro-benzamide | CHEMBL22212
Type:
Small organic molecule
Emp. Form.:
C15H21Cl2N5O5
Mol. Mass.:
422.264
SMILES:
CN(C)CCNC(=O)c1c(ccc(N(CCCl)CCCl)c1[N+]([O-])=O)[N+]([O-])=O
Structure:
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