Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50350134
Substrate
n/a
Meas. Tech.
ChEMBL_760996 (CHEMBL1815024)
Ki
109000±n/a nM
Citation
 Mangani, S; Cancian, L; Leone, R; Pozzi, C; Lazzari, S; Luciani, R; Ferrari, S; Costi, MP Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening. J Med Chem 54:5454-67 (2011) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_ENTFA | thyA
Type:
PROTEIN
Mol. Mass.:
36331.56
Organism:
Enterococcus faecalis
Description:
ChEMBL_760996
Residue:
315
Sequence:
MEEAYLALGKKILEEGHFKEDRTGTGTYSLFGYQMRFDLAKGFPLLTTKRVPFGLIKSELLWFLKGDTNIRYLLERNNHIWDEWAFERYVKSADYQGPDMTDFGHRVLQDPAFAEQYKEEHQKFCDAILNDAEFAEKYGELGNIYGAQWRHWETKDGSFIDQLANVIEMIKTNPDSRRLIVSAWNPEDVPSMALPPCHTMFQFYVNEGKLSCQLYQRSADVFLGVPFNIASYALLTHLIAHETGLEVGEFVHTLGDAHLYQNHVEQMQEQLSREVRSFPTLVLNPDKASVFDFDMEDIKVEGYDPHPTIKAPIAV
  
Inhibitor
Name:
BDBM50350134
Synonyms:
CHEMBL1814088
Type:
Small organic molecule
Emp. Form.:
C19H18N2O4
Mol. Mass.:
338.3572
SMILES:
CCOC(=O)c1ccc(NCc2cccc3C(=O)N(C)C(=O)c23)cc1
Structure:
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