Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM18763
Substrate
n/a
Meas. Tech.
ChEMBL_760998 (CHEMBL1815026)
Ki
700±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:
BDBM18763
Synonyms:
1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one | A15 | A156 | Alpha 156 | CHEMBL67116
Type:
Small organic molecule
Emp. Form.:
C24H14Cl2O4
Mol. Mass.:
437.272
SMILES:
Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1
Structure:
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