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TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
LigandBDBM18512
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 0.21±0.03 nM
IC50 180±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 Chemother50:3631-7 (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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BDBM18512
NameBDBM18512
Synonyms:5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CHEMBL36 | Pyrimethamine (Pyr) | cid_4993
TypeSmall organic molecule
Emp. Form.C12H13ClN4
Mol. Mass.248.711
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Structure
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BDBM18044
NameBDBM18044
Synonyms:(2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid | (S)-2-{4-[(2-Amino-4-hydroxy-7,8-dihydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | dihydrofolic acid
TypeSmall organic molecule
Emp. Form.C19H21N7O6
Mol. Mass.443.4133
SMILESNc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27|
Structure
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