| Reaction Details |
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 | Report a problem with these data |
| Target | 3-dehydroquinate synthase |
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| Ligand | BDBM50100862 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_351 (CHEMBL615407) |
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| Ki | 1700±n/a nM |
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| Citation |  Chandran, SS; Frost, JW Aromatic inhibitors of dehydroquinate synthase: synthesis, evaluation and implications for gallic acid biosynthesis. Bioorg Med Chem Lett11:1493-6 (2001) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| 3-dehydroquinate synthase |
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| Name: | 3-dehydroquinate synthase |
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| Synonyms: | AROB_ECOLI | aroB |
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| Type: | Enzyme |
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| Mol. Mass.: | 38878.02 |
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| Organism: | Escherichia coli (strain K12) |
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| Description: | P07639 |
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| Residue: | 362 |
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| Sequence: | MERIVVTLGERSYPITIASGLFNEPASFLPLKSGEQVMLVTNETLAPLYLDKVRGVLEQA
GVNVDSVILPDGEQYKSLAVLDTVFTALLQKPHGRDTTLVALGGGVVGDLTGFAAASYQR
GVRFIQVPTTLLSQVDSSVGGKTAVNHPLGKNMIGAFYQPASVVVDLDCLKTLPPRELAS
GLAEVIKYGIILDGAFFNWLEENLDALLRLDGPAMAYCIRRCCELKAEVVAADERETGLR
ALLNLGHTFGHAIEAEMGYGNWLHGEAVAAGMVMAARTSERLGQFSSAETQRIITLLKRA
GLPVNGPREMSAQAYLPHMLRDKKVLAGEMRLILPLAIGKSEVRSGVSHELVLNAIADCQ
SA
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| BDBM50100862 |
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| n/a |
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| Name | BDBM50100862 |
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| Synonyms: | 3,4-Dihydroxy-5-(2-phosphono-ethyl)-benzoic acid | CHEMBL285952 |
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| Type | Small organic molecule |
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| Emp. Form. | C9H11O7P |
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| Mol. Mass. | 262.1532 |
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| SMILES | OC(=O)c1cc(O)c(O)c(CCP(O)(O)=O)c1 |
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| Structure | 
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