Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM18768 |
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Substrate/Competitor | BDBM18754 |
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Meas. Tech. | Thymidylate Synthase (TS) Assay |
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pH | 7.4±n/a |
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Temperature | 293.15±n/a K |
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Ki | 900±n/a nM |
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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. |
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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 Chem49:5958-68 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Thymidylate synthase |
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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: | MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE
LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE
EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL
IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV
AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK
LLNYDPYPAIKAPVAV
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BDBM18768 |
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BDBM18754 |
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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 |
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