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Target
Thymidylate synthase
Ligand
BDBM18766
Substrate
BDBM18754
Meas. Tech.
Thymidylate Synthase (TS) Assay
Ki
5200±n/a nM
Citation
 Costi, MP; Gelain, A; Barlocco, D; Ghelli, S; Soragni, F; Reniero, F; Rossi, T; Ruberto, A; Guillou, C; Cavazzuti, A; Casolari, C; Ferrari, S Antibacterial agent discovery using thymidylate synthase biolibrary screening. J Med Chem 49:5958-68 (2006) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TMP1 | TSase | TYSY_CRYNB | Thymidylate Synthase (TS)
Type:
Enzyme
Mol. Mass.:
35863.57
Organism:
Cryptococcus neoformans
Description:
n/a
Residue:
317
Sequence:
MTATIDDQEKNQRSNPDHEEYQYLDLIRRIINVGEVRPDRTGTGTVALFAPPSFRFSLADNTLPLLTTKRVFLRGVIAELLWFVSGCTDAKMLSSQGVGIWDGNGSKEFLEKVGLGHRREGDLGPVYGFQWRHFGAEYTDADGDYKGKGVDQLQRVIDTIKNNPTDRRIILSAWNPKDLPLMALPPCHMFCQFFVSLPPADSPGSKPKLSCLMYQRSCDLGLGVPFNIASYALLTHMIALITDTEPHEFILQMGDAHVYRDHVEPLKTQLEREPRDFPKLKWARSKEEIGDIDGFKVEDFVVEGYKPWGKIDMKMSA
  
Inhibitor
Name:
BDBM18766
Synonyms:
1,8-naphthalein derivative, 13 | 4-(3-bromo-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one
Type:
Small organic molecule
Emp. Form.:
C24H15BrO4
Mol. Mass.:
447.278
SMILES:
Oc1ccc(cc1)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Br)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18754
Synonyms:
(2S)-2-[(4-{11-amino-13-oxo-2,4,8,10,12-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),11-dien-4-yl}phenyl)formamido]pentanedioate | 5,10-Methylene-THF | 5,10-Methylenetetrahydrofolate
Type:
Small organic molecule
Emp. Form.:
C20H21N7O6
Mol. Mass.:
455.4251
SMILES:
Nc1nc2NCC3CN(CN3c2c(=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
Structure:
Search PDB for entries with ligand similarity: