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Target
Thioredoxin reductase
Ligand
BDBM50068343
Substrate
n/a
Meas. Tech.
ChEMBL_347983 (CHEMBL869602)
IC50
8000±n/a nM
Citation
 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K Specific inhibitors of Plasmodium falciparum thioredoxin reductase as potential antimalarial agents. Bioorg Med Chem Lett 16:2283-92 (2006) [PubMed]  Article 
Target
Name:
Thioredoxin reductase
Synonyms:
TRXR | TRXR_PLAF7 | Thioredoxin reductase 2
Type:
PROTEIN
Mol. Mass.:
68716.44
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_347983
Residue:
617
Sequence:
MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG
  
Inhibitor
Name:
BDBM50068343
Synonyms:
2-Chloro-1,3-dinitro-5-trifluoromethyl-benzene | 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene | CHEMBL144530
Type:
Small organic molecule
Emp. Form.:
C7H2ClF3N2O4
Mol. Mass.:
270.55
SMILES:
[O-][N+](=O)c1cc(cc(c1Cl)[N+]([O-])=O)C(F)(F)F
Structure:
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