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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM18791
Substrate
BDBM18044
Meas. Tech.
Inhibitor Screening Using Bacterial System (IC50) and Measurement of Inhibition Constant (Ki)
pH
7±n/a
Temperature
298.15±n/a K
Ki
0.53±0.06 nM
IC50
800±120 nM
Citation
 Bunyarataphan, S; Leartsakulpanich, U; Taweechai, S; Tarnchompoo, B; Kamchonwongpaisan, S; Yuthavong, 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 
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
DRTS_PLAVI | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) | PvDHFR-TS
Type:
Enzyme
Mol. Mass.:
71083.97
Organism:
Plasmodium vivax (malaria parasite P. vivax)
Description:
O02604
Residue:
623
Sequence:
MEDLSDVFDIYAICACCKVAPTSEGTKNEPFSPRTFRGLGNKGTLPWKCNSVDMKYFSSVTTYVDESKYEKLKWKRERYLRMEASQGGGDNTSGGDNTHGGDNADKLQNVVVMGRSSWESIPKQYKPLPNRINVVLSKTLTKEDVKEKVFIIDSIDDLLLLLKKLKYYKCFIIGGAQVYRECLSRNLIKQIYFTRINGAYPCDVFFPEFDESQFRVTSVSEVYNSKGTTLDFLVYSKVGGGVDGGASNGSTATALRRTAMRSTAMRRNVAPRTAAPPMGPHSRANGERAPPRARARRTTPRQRKTTSCTSALTTKWGRKTRSTCKILKFTTASRLMQHPEYQYLGIIYDIIMNGNKQGDRTGVGVMSNFGYMMKFNLSEYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMHDNYEDKGVDQLKNVIHLIKNEPTSRRIILCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHILGNAHVYNNHVDSLKVQLNRIPYPFPTLKLNPEVKNIEDFTISDFTIENYVHHDKITMEMAA
  
Inhibitor
Name:
BDBM18791
Synonyms:
5-phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine | CHEMBL22693 | P33
Type:
Small organic molecule
Emp. Form.:
C19H20N4
Mol. Mass.:
304.3889
SMILES:
Nc1nc(N)c(-c2ccccc2)c(CCCc2ccccc2)n1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18044
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
Type:
Small organic molecule
Emp. Form.:
C19H21N7O6
Mol. Mass.:
443.4133
SMILES:
Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27|
Structure:
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