Reaction Details
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Thymidylate synthase
Ligand
BDBM18768
Substrate
BDBM18754
Meas. Tech.
Thymidylate Synthase (TS) Assay
pH
7.4±n/a
Temperature
293.15±n/a K
Ki
900±n/a nM
Comments
Compound showed null or very low toxicity in the cytotoxicity test against gram-positive and gram-negative wild-type bacterial strains.It showed good activity against most of the multi-resistant strains tested, in particular against Staphylococcus epidermidis.
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:
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:
BDBM18768
Synonyms:
1,8-naphthalein derivative, 15 | 4,4-bis(3,5-dibromo-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.:
C24H12Br4O4
Mol. Mass.:
683.966
SMILES:
Oc1c(Br)cc(cc1Br)C1(OC(=O)c2cccc3cccc1c23)c1cc(Br)c(O)c(Br)c1
Structure:
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:
