| Reaction Details |
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 | Report a problem with these data |
| Target | 3-dehydroquinate synthase |
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| Ligand | BDBM50100861 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_350 (CHEMBL615323) |
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| Ki | 44000±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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| BDBM50100861 |
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| n/a |
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| Name | BDBM50100861 |
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| Synonyms: | 3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic acid | 4,5-Dihydroxybenzoic acid | 4-Carboxy-1,2-dihydroxybenzene | CHEMBL37537 | Protocatechuic acid | Protocatechuic acid (M1) | Protocatehuic acid | cid_72 |
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| Type | Small organic molecule |
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| Emp. Form. | C7H6O4 |
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| Mol. Mass. | 154.1201 |
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| SMILES | OC(=O)c1ccc(O)c(O)c1 |
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| Structure | 
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