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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM18050
Substrate
n/a
Meas. Tech.
ChEMBL_55096 (CHEMBL875027)
Ki
0.129±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:
BDBM18050
Synonyms:
2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | MTX | Methotrexate | cid_126941
Type:
Small organic molecule
Emp. Form.:
C20H22N8O5
Mol. Mass.:
454.4393
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
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