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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50291766
Substrate
n/a
Meas. Tech.
ChEMBL_55096 (CHEMBL875027)
Ki
1.738E2±n/a nM
Citation
 Booth, RG; Selassie, CD; Hansch, C; Santi, DV Quantitative structure-activity relationship of triazine-antifolate inhibition of Leishmania dihydrofolate reductase and cell growth. J Med Chem 30:1218-24 (1987) [PubMed]  Article 
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
DHFR-TS | DRTS_LEIMA | Thymidylate synthase (TS)
Type:
Protein
Mol. Mass.:
58691.04
Organism:
Leishmania major
Description:
P07382
Residue:
520
Sequence:
MSRAAARFKIPMPETKADFAFPSLRAFSIVVALDMQHGIGDGESIPWRVPEDMTFFKNQTTLLRNKKPPTEKKRNAVVMGRKTWESVPVKFRPLKGRLNIVLSSKATVEELLAPLPEGQRAAAAQDVVVVNGGLAEALRLLARPLYCSSIETAYCVGGAQVYADAMLSPCIEKLQEVYLTRIYATAPACTRFFPFPPENAATAWDLASSQGRRKSEAEGLEFEICKYVPRNHEERQYLELIDRIMKTGIVKEDRTGVGTISLFGAQMRFSLRDNRLPLLTTKRVFWRGVCEELLWFLRGETSAQLLADKDIHIWDGNGSREFLDSRGLTENKEMDLGPVYGFQWRHFGADYKGFEANYDGEGVDQIKLIVETIKTNPNDRRLLVTAWNPCALQKMALPPCHLLAQFYVNTDTSELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATGLRPGELVHTLGDAHVYRNHVDALKAQLERVPHAFPTLIFKEERQYLEDYELTDMEVIDYVPHPAIKMEMAV
  
Inhibitor
Name:
BDBM50291766
Synonyms:
1-[3-(3-Isopropyl-phenoxymethyl)-phenyl]-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL20227
Type:
Small organic molecule
Emp. Form.:
C21H27N5O
Mol. Mass.:
365.472
SMILES:
CC(C)c1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:19,22|
Structure:
Search PDB for entries with ligand similarity: