| Reaction Details |
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 | Report a problem with these data |
| Target | 3-dehydroquinate dehydratase |
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| Ligand | BDBM50170812 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_332878 (CHEMBL866381) |
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| Kd | 200000±n/a nM |
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| Citation |  Robinson, DA; Stewart, KA; Price, NC; Chalk, PA; Coggins, JR; Lapthorn, AJ Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design. J Med Chem49:1282-90 (2006) [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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|
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| BDBM50170812 |
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| n/a |
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| Name | BDBM50170812 |
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| Synonyms: | (1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxylic acid | 2,3 -ANHYDRO-QUINIC ACID | 2,3-anhydroquinic acid | CHEMBL190265 |
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| Type | Small organic molecule |
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| Emp. Form. | C7H10O5 |
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| Mol. Mass. | 174.1513 |
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| SMILES | O[C@@H]1C[C@@](O)(C=C[C@H]1O)C(O)=O |c:5| |
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| Structure | 
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