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Target
Thymidylate synthase
Ligand
BDBM50350123
Substrate
n/a
Meas. Tech.
ChEMBL_760998 (CHEMBL1815026)
Ki
23000±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:
TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:
Enzyme
Mol. Mass.:
36576.54
Organism:
Lactobacillus casei
Description:
n/a
Residue:
316
Sequence:
MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV
  
Inhibitor
Name:
BDBM50350123
Synonyms:
CHEMBL1229651
Type:
Small organic molecule
Emp. Form.:
C14H9ClN2O2
Mol. Mass.:
272.686
SMILES:
Cc1cccc2C(=O)N(C(=O)c12)c1ccnc(Cl)c1
Structure:
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