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TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
LigandBDBM18778
Substrate/CompetitorBDBM18044
Meas. Tech.Inhibitor Screening Using Bacterial System (IC50) and Measurement of Inhibition Constant (Ki)
pH7±n/a
Temperature298.15±n/a K
Ki 0.69±0.05 nM
IC50 200±50 nM
Citation Bunyarataphan SLeartsakulpanich UTaweechai STarnchompoo BKamchonwongpaisan SYuthavong Y Evaluation of the activities of pyrimethamine analogs against Plasmodium vivax and Plasmodium falciparum dihydrofolate reductase-thymidylate synthase using in vitro enzyme inhibition and bacterial complementation assays. Antimicrob Agents Chemother 50:3631-7 (2006) [PubMed]  Article
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Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
Name:Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
Synonyms:PvDHFR-TS
Type:Enzyme
Mol. Mass.:71083.97
Organism:Plasmodium vivax (malaria parasite P. vivax)
Description:O02604
Residue:623
Sequence:
MEDLSDVFDIYAICACCKVAPTSEGTKNEPFSPRTFRGLGNKGTLPWKCNSVDMKYFSSV
TTYVDESKYEKLKWKRERYLRMEASQGGGDNTSGGDNTHGGDNADKLQNVVVMGRSSWES
IPKQYKPLPNRINVVLSKTLTKEDVKEKVFIIDSIDDLLLLLKKLKYYKCFIIGGAQVYR
ECLSRNLIKQIYFTRINGAYPCDVFFPEFDESQFRVTSVSEVYNSKGTTLDFLVYSKVGG
GVDGGASNGSTATALRRTAMRSTAMRRNVAPRTAAPPMGPHSRANGERAPPRARARRTTP
RQRKTTSCTSALTTKWGRKTRSTCKILKFTTASRLMQHPEYQYLGIIYDIIMNGNKQGDR
TGVGVMSNFGYMMKFNLSEYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWE
ANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMHDNYEDKGVDQLKNVIHLIKN
EPTSRRIILCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASY
SIFTHMIAQVCNLQPAQFIHILGNAHVYNNHVDSLKVQLNRIPYPFPTLKLNPEVKNIED
FTISDFTIENYVHHDKITMEMAA
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  Blast E-value cutoff:
BDBM18778
BDBM18044
NameBDBM18778
Synonyms:CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butanoate
TypeSmall organic molecule
Emp. Form.C15H17ClN4O2
Mol. Mass.320.774
SMILESCOC(=O)CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Structure
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