| Reaction Details |
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 | Report a problem with these data |
| Target | 3-dehydroquinate dehydratase |
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| Ligand | BDBM50170803 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_303647 (CHEMBL828995) |
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| pH | 8.2±n/a |
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| Ki | 1800±n/a nM |
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| Comments | extracted |
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| Citation |  Sánchez-Sixto, C; Prazeres, VF; Castedo, L; Lamb, H; Hawkins, AR; González-Bello, C Structure-based design, synthesis, and biological evaluation of inhibitors of Mycobacterium tuberculosis type II dehydroquinase. J Med Chem48:4871-81 (2005) [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_MYCTU | aroD | aroQ |
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| Type: | PROTEIN |
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| Mol. Mass.: | 15786.25 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_766423 |
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| Residue: | 147 |
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| Sequence: | MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVVRQSDSEAQLL
DWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVHISNVHAREEFRRHSYLSP
IATGVIVGLGIQGYLLALRYLAEHVGT
|
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| BDBM50170803 |
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| n/a |
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| Name | BDBM50170803 |
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| Synonyms: | (1R,4R,5R)-3-(4-Fluoro-phenyl)-1,4,5-trihydroxy-cyclohex-2-enecarboxylic acid | CHEMBL362122 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H13FO5 |
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| Mol. Mass. | 268.2377 |
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| SMILES | O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1ccc(F)cc1)C(O)=O |c:5| |
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| Structure | 
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