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Target
Putative nitroreductase
Ligand
BDBM50520024
Substrate
n/a
Meas. Tech.
ChEMBL_1878864 (CHEMBL4380258)
Ki
283±n/a nM
Citation
 Tokay, E; Güngör, T; Hac?o?lu, N; Önder, FC; Gülhan, ÜG; Tok, TT; Çelik, A; Ay, M; Köçkar, F Prodrugs for nitroreductase-based cancer therapy-3: Antitumor activity of the novel dinitroaniline prodrugs/Ssap-NtrB enzyme suicide gene system: Synthesis, in vitro and in silico evaluation in prostate cancer. Eur J Med Chem 187:0 (2020) [PubMed]  Article 
Target
Name:
Putative nitroreductase
Synonyms:
Putative nitroreductase
Type:
PROTEIN
Mol. Mass.:
23400.09
Organism:
Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)
Description:
ChEMBL_119673
Residue:
208
Sequence:
MINNNFEEILMNRKSVKVFDEQVKIPKAEMDEMIKKATTAPSSVNMQPWRFLVVESDEGKDTLRPLIRFNTRQNDSSAAMVVIFGDMKSQTNAEEIYGNAVKHDLMPEEVKQEMLKKVIPLYDNAPKEQMNDIVKIDSSLAAMQFMLVAKAHGYDTNPIGGFESDQIADAFGIDSERYVPVLIVAIGKAKNPAHGSYRLPTETVTKYV
  
Inhibitor
Name:
BDBM50520024
Synonyms:
CHEMBL4564160
Type:
Small organic molecule
Emp. Form.:
C14H12N6O8
Mol. Mass.:
392.2805
SMILES:
[O-][N+](=O)c1ccc(NCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O
Structure:
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