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Target
Probable flavin-dependent thymidylate synthase
Ligand
BDBM50377324
Substrate
n/a
Meas. Tech.
ChEMBL_479520 (CHEMBL924875)
IC50
57±n/a nM
Citation
 Esra Onen, F; Boum, Y; Jacquement, C; Spanedda, MV; Jaber, N; Scherman, D; Myllykallio, H; Herscovici, J Design, synthesis and evaluation of potent thymidylate synthase X inhibitors. Bioorg Med Chem Lett 18:3628-31 (2008) [PubMed]  Article 
Target
Name:
Probable flavin-dependent thymidylate synthase
Synonyms:
Probable thymidylate synthase | THYX_PBCV1 | TS | TSase
Type:
PROTEIN
Mol. Mass.:
24907.10
Organism:
Paramecium bursaria Chlorella virus 1
Description:
ChEMBL_479520
Residue:
216
Sequence:
MSAKLISVTKPVVEGVNTAEELIAYAARVSNPENQINNKTASGLLKYCIRHKHWSIFETAFMTLELKTSRGIAAQVLRHRSFHFQEFSQRYASVMETPPPHQARFQDHKNRQNSLDTVPEDDQTWWATEQEKLYAQSMELYNKALEKGIAKECARFILPLSTPTTIYMSGTIRDWIHYIELRTSNGTQREHIDLANACKEIFIKEFPSIAKALDWV
  
Inhibitor
Name:
BDBM50377324
Synonyms:
CHEMBL257162
Type:
Small organic molecule
Emp. Form.:
C20H22F3N5O4S
Mol. Mass.:
485.48
SMILES:
CCOC(=O)[C@@H]1CSC(N1C(=O)c1cn(CCCNC(=O)C(F)(F)F)nn1)c1ccccc1 |w:8.28|
Structure:
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