Reaction Details Report a problem with these data
Target
Oxygen-insensitive NAD(P)H nitroreductase
Ligand
BDBM50505033
Substrate
n/a
Meas. Tech.
ChEMBL_1817031 (CHEMBL4316691)
IC50
48000±n/a nM
Citation
 Nepali, K; Lee, HY; Liou, JP Nitro-Group-Containing Drugs. J Med Chem 62:2851-2893 (2019) [PubMed]  Article 
Target
Name:
Oxygen-insensitive NAD(P)H nitroreductase
Synonyms:
1.-.-.- | 1.5.1.34 | Dihydropteridine reductase | FMN-dependent nitroreductase | NFSB_ECOLI | Oxygen-insensitive NAD(P)H nitroreductase | Synonyms=dprA | dprA | nfnB | nfsB | nfsI | ntr
Type:
PROTEIN
Mol. Mass.:
23903.39
Organism:
Escherichia coli K-12
Description:
ChEMBL_102605
Residue:
217
Sequence:
MDIISVALKRHSTKAFDASKKLTPEQAEQIKTLLQYSPSSTNSQPWHFIVASTEEGKARVAKSAAGNYVFNERKMLDASHVVVFCAKTAMDDVWLKLVVDQEDADGRFATPEAKAANDKGRKFFADMHRKDLHDDAEWMAKQVYLNVGNFLLGVAALGLDAVPIEGFDAAILDAEFGLKEKGYTSLVVVPVGHHSVEDFNATLPKSRLPQNITLTEV
  
Inhibitor
Name:
BDBM50505033
Synonyms:
CHEMBL4518887
Type:
Small organic molecule
Emp. Form.:
C11H14Cl2N3O4P
Mol. Mass.:
354.126
SMILES:
[O-][N+](=O)c1ccc2CNP(=O)(Oc2c1)N(CCCl)CCCl
Structure:
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