Reaction Details Report a problem with these data
Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50291795
Substrate
n/a
Meas. Tech.
ChEMBL_55096 (CHEMBL875027)
Ki
6.457E2±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:
BDBM50291795
Synonyms:
CHEMBL441503 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzyloxy]-phenyl}-methanol
Type:
Small organic molecule
Emp. Form.:
C19H23N5O2
Mol. Mass.:
353.4182
SMILES:
CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(CO)c2)c1 |t:3,6|
Structure:
Search PDB for entries with ligand similarity: