| Reaction Details |
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 | Report a problem with these data |
| Target | 3-dehydroquinate dehydratase |
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| Ligand | BDBM50303444 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_595938 (CHEMBL1041787) |
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| Ki | 130±n/a nM |
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| Citation |  Prazeres, VF; Tizón, L; Otero, JM; Guardado-Calvo, P; Llamas-Saiz, AL; van Raaij, MJ; Castedo, L; Lamb, H; Hawkins, AR; González-Bello, C Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues. J Med Chem53:191-200 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| 3-dehydroquinate dehydratase |
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| Name: | 3-dehydroquinate dehydratase |
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| Synonyms: | AROQ_HELPY | aroQ |
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| Type: | PROTEIN |
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| Mol. Mass.: | 18479.08 |
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| Organism: | Helicobacter pylori |
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| Description: | ChEMBL_766424 |
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| Residue: | 167 |
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| Sequence: | MKILVIQGPNLNMLGHRDPRLYGMVTLDQIHEIMQTFVKQGNLDVELEFFQTNFEGEIID
KIQESVGSDYEGIIINPGAFSHTSIAIADAIMLAGKPVIEVHLTNIQAREEFRKNSYTGA
ACGGVIMGFGPLGYNMALMAMVNILAEMKAFQEAQKNNPNNPINNQK
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| BDBM50303444 |
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| n/a |
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| Name | BDBM50303444 |
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| Synonyms: | CHEMBL567564 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-(5-methylbenzo[b]-thiophen-2-yl)methoxycyclohexan-1-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C17H17O6S |
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| Mol. Mass. | 349.379 |
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| SMILES | Cc1ccc2sc(COC3=C[C@](O)(C[C@@H](O)[C@@H]3O)C([O-])=O)cc2c1 |r,t:9| |
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| Structure | 
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