Reaction Details Report a problem with these data
Target
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N]
Ligand
BDBM18787
Substrate
BDBM18044
Meas. Tech.
Inhibitor Screening Using Bacterial System (IC50) and Measurement of Inhibition Constant (Ki)
Ki
1.53±n/a nM
IC50
14180±n/a 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 [1-238,S58R,S117N]
Synonyms:
DRTS_PLAVI | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Muatnt (S58R/S117N) | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
Type:
Enzyme
Mol. Mass.:
27235.37
Organism:
malaria parasite P. vivax
Description:
O02604[1-238,S58R,S117N]
Residue:
238
Sequence:
MENLSDVFDIYAICACCKVAPTSEGTKNEPFSPRTFRGLGNKGTLPWKCNSVDMKYFRSVTTYVDESKYEKLKWKRERYLRMEASQGGGDNTSGGDNTHGGDNADKLQNVVVMGRSNWESIPKQYKPLPNRINVVLSKTLTKEDVKEKVFIIDSIDDLLLLLKKLKYYKCFIIGGAQVYRECLSRNLIKQIYFTRINGAYPCDVFFPEFDESEFRVTSVSEVYNSKGTTLDFLVYSKV
  
Inhibitor
Name:
BDBM18787
Synonyms:
5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine | CHEMBL22403 | P40
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18044
Synonyms:
(S)-2-{4-[(2-Amino-4-hydroxy-7,8-dihydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | (2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid | dihydrofolic acid
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: