Reaction Details Report a problem with these data
Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50335104
Substrate
n/a
Meas. Tech.
ChEMBL_702838 (CHEMBL1655368)
IC50
139000±n/a nM
Citation
 Shi, K; Huang, Q; Huang, Y; Lee, TC; Yu, H Reducing the brittleness of zein films through chemical modification. J Agric Food Chem 59:56-61 (2011) [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:
BDBM50335104
Synonyms:
3-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(thiophen-2-yl)propan-1-one | CHEMBL1650287
Type:
Small organic molecule
Emp. Form.:
C9H9N3OS2
Mol. Mass.:
239.317
SMILES:
Nc1nnc(CCC(=O)c2cccs2)s1
Structure:
Search PDB for entries with ligand similarity: