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Target
Thioredoxin reductase
Ligand
BDBM50182122
Substrate
n/a
Meas. Tech.
ChEMBL_347991 (CHEMBL869608)
Ki
200±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:
BDBM50182122
Synonyms:
CHEMBL204688 | bis(2,4-dinitrophenyl)sulfane
Type:
Small organic molecule
Emp. Form.:
C12H6N4O8S
Mol. Mass.:
366.263
SMILES:
[O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O
Structure:
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