Reaction Details |
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Target | 3-dehydroquinate dehydratase |
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Ligand | BDBM50303443 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_595938 (CHEMBL1041787) |
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Ki | 920±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 |
Synonyms: | AROQ_HELPY | aroQ |
Type: | PROTEIN |
Mol. Mass.: | 18479.08 |
Organism: | Helicobacter pylori |
Description: | ChEMBL_766424 |
Residue: | 167 |
Sequence: | MKILVIQGPNLNMLGHRDPRLYGMVTLDQIHEIMQTFVKQGNLDVELEFFQTNFEGEIID
KIQESVGSDYEGIIINPGAFSHTSIAIADAIMLAGKPVIEVHLTNIQAREEFRKNSYTGA
ACGGVIMGFGPLGYNMALMAMVNILAEMKAFQEAQKNNPNNPINNQK
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BDBM50303443 |
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n/a |
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Name | BDBM50303443 |
Synonyms: | CHEMBL567136 | Sodium(1R,4S,5R)-1,4-Dihydroxy-3-(thien-3-yl)methoxycyclohex-2-en-1-carboxylate |
Type | Small organic molecule |
Emp. Form. | C12H13O6S |
Mol. Mass. | 285.294 |
SMILES | O[C@@H]1C[C@@](O)(C=C(OCc2cccs2)[C@H]1O)C([O-])=O |r,t:5| |
Structure |
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