Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM18512 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_521669 (CHEMBL999680) |
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IC50 | 2480±n/a nM |
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Citation | Japrung, D; Leartsakulpanich, U; Chusacultanachai, S; Yuthavong, Y Conflicting requirements of Plasmodium falciparum dihydrofolate reductase mutations conferring resistance to pyrimethamine-WR99210 combination. Antimicrob Agents Chemother51:4356-60 (2007) [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: | Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS) | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) | PfDHFR-TS |
Type: | Enzyme |
Mol. Mass.: | 71741.43 |
Organism: | Plasmodium falciparum (isolate K1 / Thailand) |
Description: | PfDHFR-TS wild-type (TM4/8.2) was expressed and purified from E. coli. |
Residue: | 608 |
Sequence: | MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTSWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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BDBM18512 |
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n/a |
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Name | BDBM18512 |
Synonyms: | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CHEMBL36 | Pyrimethamine (Pyr) | US11530198, Example Pyrimethamine | cid_4993 |
Type | Small organic molecule |
Emp. Form. | C12H13ClN4 |
Mol. Mass. | 248.711 |
SMILES | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 |
Structure |
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