Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM50138954 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_155798 (CHEMBL760860) |
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IC50 | 290±n/a nM |
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Citation | Kamchonwongpaisan, S; Quarrell, R; Charoensetakul, N; Ponsinet, R; Vilaivan, T; Vanichtanankul, J; Tarnchompoo, B; Sirawaraporn, W; Lowe, G; Yuthavong, Y Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities. J Med Chem47:673-80 (2004) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Bifunctional dihydrofolate reductase-thymidylate synthase |
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Name: | Bifunctional dihydrofolate reductase-thymidylate synthase |
Synonyms: | DHFR-TS | DRTS_PLAFK | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 | Dihydrofolate reductase | PfDHFR-TS double mutant (C59R+S108N) |
Type: | Enzyme |
Mol. Mass.: | 71822.51 |
Organism: | Plasmodium falciparum (isolate K1 / Thailand) |
Description: | The mutant clone was prepared by cassette mutagenesis using wildtype pfDHFR as a template, and expressed in E. coli. |
Residue: | 608 |
Sequence: | MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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BDBM50138954 |
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n/a |
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Name | BDBM50138954 |
Synonyms: | 1-(3-Chloro-phenyl)-6-methyl-6-propyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | 1-(3-chlorophenyl)-6-methyl-6-propyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL158639 |
Type | Small organic molecule |
Emp. Form. | C13H18ClN5 |
Mol. Mass. | 279.769 |
SMILES | CCCC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:5,8| |
Structure |
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