Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase [N51I,C59R,S108N,I164L] |
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Ligand | BDBM18792 |
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Substrate/Competitor | BDBM18044 |
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Meas. Tech. | Antimalarial Testing In Vitro (IC50) and Measurement of Inhibition Constant (Ki) |
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pH | 7±n/a |
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Temperature | 298.15±n/a K |
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Ki | 254±33 nM |
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IC50 | >100000±n/a nM |
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Citation | Yuvaniyama, J; Chitnumsub, P; Kamchonwongpaisan, S; Vanichtanankul, J; Sirawaraporn, W; Taylor, P; Walkinshaw, MD; Yuthavong, Y Insights into antifolate resistance from malarial DHFR-TS structures. Nat Struct Biol10:257-65 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Bifunctional dihydrofolate reductase-thymidylate synthase [N51I,C59R,S108N,I164L] |
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Name: | Bifunctional dihydrofolate reductase-thymidylate synthase [N51I,C59R,S108N,I164L] |
Synonyms: | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S | PfDHFR-TS quadruple mutant (N51I+C59R+S108N+I164L) |
Type: | Enzyme |
Mol. Mass.: | 71821.56 |
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: | MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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BDBM18792 |
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BDBM18044 |
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Name | BDBM18792 |
Synonyms: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL747 | Chlorazin | Cycloguanil |
Type | Small organic molecule |
Emp. Form. | C11H14ClN5 |
Mol. Mass. | 251.715 |
SMILES | CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6| |
Structure |
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