BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 50115358 [O-][N+](=O)c1cccc2nsnc12 InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H IWQKAMJGVIHECB-UHFFFAOYSA-N 50182128 4-nitrobenzo[c][1,2,5]thiadiazole::CHEMBL383084 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 650 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182128&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 81062 104066918 CHEMBL383084 ZINC01509875 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115362 [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+]([O-])=O InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H QZADIXWDDVQVKM-UHFFFAOYSA-N 50182126 1,3-dinitro-5-(trifluoromethyl)benzene::CHEMBL380842 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 30000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182126&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 123060 104066916 CHEMBL380842 ZINC02166808 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115368 [O-][N+](=O)c1cccc2nsnc12 InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H IWQKAMJGVIHECB-UHFFFAOYSA-N 50182128 4-nitrobenzo[c][1,2,5]thiadiazole::CHEMBL383084 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 2000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182128&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 81062 104066918 CHEMBL383084 ZINC01509875 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115372 [O-][N+](=O)c1cccc2nsnc12 InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H IWQKAMJGVIHECB-UHFFFAOYSA-N 50182128 4-nitrobenzo[c][1,2,5]thiadiazole::CHEMBL383084 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 1000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182128&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 81062 104066918 CHEMBL383084 ZINC01509875 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115390 [O-][N+](=O)c1cc2nccnc2cc1[N+]([O-])=O InChI=1S/C8H4N4O4/c13-11(14)7-3-5-6(10-2-1-9-5)4-8(7)12(15)16/h1-4H MRCFKNAXRGITFV-UHFFFAOYSA-N 50182124 6,7-dinitroquinoxaline::CHEMBL380953 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 2000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182124&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 2724608 104066914 CHEMBL380953 ZINC05280674 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115399 [O-][N+](=O)c1ccc2nccnc2c1 InChI=1S/C8H5N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-5H YLKFDRWBZAALPN-UHFFFAOYSA-N 50182127 6-nitroquinoxaline::CHEMBL380630::TCMDC-123943 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 40000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182127&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 96029 104066917 CHEMBL380630 ZINC00167696 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115415 [O-][N+](=O)c1ccc2nsnc2c1 InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)8-12-7-5/h1-3H BXZPSERJJMAPSV-UHFFFAOYSA-N 50182129 5-nitrobenzo[c][1,2,5]thiadiazole::CHEMBL206713 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 10000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182129&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 297897 104066919 CHEMBL206713 ZINC00071460 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115420 [O-][N+](=O)c1cc([N+]([O-])=O)c2nsnc2c1 InChI=1S/C6H2N4O4S/c11-9(12)3-1-4-6(8-15-7-4)5(2-3)10(13)14/h1-2H BYLOIWCTRDPRTP-UHFFFAOYSA-N 50182130 4,6-dinitrobenzo[c][1,2,5]thiadiazole::CHEMBL206140 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 10000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182130&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 305451 104066920 CHEMBL206140 ZINC01736331 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115432 [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H DMIUPZAMXYQKBR-UHFFFAOYSA-N 50182122 CHEMBL204688::bis(2,4-dinitrophenyl)sulfane Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 200 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182122&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 95960 104066912 CHEMBL204688 ZINC01846448 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115442 [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H DMIUPZAMXYQKBR-UHFFFAOYSA-N 50182122 CHEMBL204688::bis(2,4-dinitrophenyl)sulfane Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 200 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182122&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 95960 104066912 CHEMBL204688 ZINC01846448 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115446 [O-][N+](=O)c1ccc2OCOc2c1[N+]([O-])=O InChI=1S/C7H4N2O6/c10-8(11)4-1-2-5-7(15-3-14-5)6(4)9(12)13/h1-2H,3H2 PAHDCKCVXHLYQB-UHFFFAOYSA-N 50182121 4,5-dinitrobenzo[d][1,3]dioxole::CHEMBL206829 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 10000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182121&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 3723425 104066911 CHEMBL206829 ZINC04837050 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115448 [O-][N+](=O)c1cc(ccc1Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(F)(F)F InChI=1S/C14H6F6N2O4S/c15-13(16,17)7-1-3-11(9(5-7)21(23)24)27-12-4-2-8(14(18,19)20)6-10(12)22(25)26/h1-6H JZOKZEROYRPYIF-UHFFFAOYSA-N 50182125 CHEMBL204687::bis(2-nitro-4-(trifluoromethyl)phenyl)sulfane Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 20000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182125&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 236554 104066915 CHEMBL204687 ZINC01671152 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115449 [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H DMIUPZAMXYQKBR-UHFFFAOYSA-N 50182122 CHEMBL204688::bis(2,4-dinitrophenyl)sulfane Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 500 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182122&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 95960 104066912 CHEMBL204688 ZINC01846448 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50 50115452 [O-][N+](=O)c1cc(cc(c1Cl)[N+]([O-])=O)C(F)(F)F InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H HFHAVERNVFNSHL-UHFFFAOYSA-N 50068343 2-Chloro-1,3-dinitro-5-trifluoromethyl-benzene::2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene::CHEMBL144530 Thioredoxin reductase Plasmodium falciparum (isolate 3D7) 8000 ChEMBL 10.1016/j.bmcl.2006.01.027 10.7270/Q2FB52HJ 16458512 Andricopulo, AD; Akoachere, MB; Krogh, R; Nickel, C; McLeish, MJ; Kenyon, GL; Arscott, LD; Williams, CH; Davioud-Charvet, E; Becker, K University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50068343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003429&target=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50068343&enzyme=Thioredoxin+reductase&column=ki&startPg=0&Increment=50&submit=Search 9809 103962606 CHEMBL144530 ZINC02022399 1 MNNVISFIGNSSNKYFQINQLHFIRIINKNIHSKNNLINSNSSYNVFYNKYFIKNTFQNKNKLSSIYSKLNFSIKNMCKDKNEKKNYEHVNANEKNGYLASEKNELTKNKVEEHTYDYDYVVIGGGPGGMASAKEAAAHGARVLLFDYVKPSSQGTKWGIGGTCVNVGCVPKKLMHYAGHMGSIFKLDSKAYGWKFDNLKHDWKKLVTTVQSHIRSLNFSYMTGLRSSKVKYINGLAKLKDKNTVSYYLKGDLSKEETVTGKYILIATGCRPHIPDDVEGAKELSITSDDIFSLKKDPGKTLVVGASYVALECSGFLNSLGYDVTVAVRSIVLRGFDQQCAVKVKLYMEEQGVMFKNGILPKKLTKMDDKILVEFSDKTSELYDTVLYAIGRKGDIDGLNLESLNMNVNKSNNKIIADHLSCTNIPSIFAVGDVAENVPELAPVAIKAGEILARRLFKDSDEIMDYSYIPTSIYTPIEYGACGYSEEKAYELYGKSNVEVFLQEFNNLEISAVHRQKHIRAQKDEYDLDVSSTCLAKLVCLKNEDNRVIGFHYVGPNAGEVTQGMALALRLKVKKKDFDNCIGIHPTDAESFMNLFVTISSGLSYAAKGGCGGGKCG 4B1B Thioredoxin reductase TRXR_PLAF7 P61076 A0A143ZVU1 Q71G50