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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM18759
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±0
Temperature
293.15±0 K
Ki
4.1e+4±n/a nM
Citation
 Ferrari, S; Costi, PM; Wade, RC Inhibitor specificity via protein dynamics: insights from the design of antibacterial agents targeted against thymidylate synthase. Chem Biol 10:1183-93 (2003) [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:
BDBM18759
Synonyms:
1,2-naphthalein derivative, 5 | 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-4-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7,10,12-pentaen-5-one | Phenolnaphthalein derivative, 5
Type:
Small organic molecule
Emp. Form.:
C24H12Br4O4
Mol. Mass.:
683.966
SMILES:
Oc1c(Br)cc(cc1Br)C1(OC(=O)c2ccc3ccccc3c12)c1cc(Br)c(O)c(Br)c1
Structure:
Search PDB for entries with ligand similarity: