Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM50151133 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_55432 (CHEMBL667625) |
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Ki | 16000±n/a nM |
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Citation | Rastelli, G; Pacchioni, S; Sirawaraporn, W; Sirawaraporn, R; Parenti, MD; Ferrari, AM Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors. J Med Chem46:2834-45 (2003) [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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BDBM50151133 |
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n/a |
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Name | BDBM50151133 |
Synonyms: | 4-(3,5-Dichloro-pyridin-4-yloxy)-N-hydroxy-benzamidine | CHEMBL365894 |
Type | Small organic molecule |
Emp. Form. | C12H9Cl2N3O2 |
Mol. Mass. | 298.125 |
SMILES | ONC(=N)c1ccc(Oc2c(Cl)cncc2Cl)cc1 |
Structure |
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