| Reaction Details |
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 | Report a problem with these data |
| Target | 3-dehydroquinate dehydratase |
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| Ligand | BDBM50352026 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_766423 (CHEMBL1826563) |
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| Ki | 870±n/a nM |
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| Citation |  Tizón, L; Otero, JM; Prazeres, VF; Llamas-Saiz, AL; Fox, GC; van Raaij, MJ; Lamb, H; Hawkins, AR; Ainsa, JA; Castedo, L; González-Bello, C A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors. J Med Chem54:6063-84 (2011) [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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| BDBM50352026 |
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| n/a |
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| Name | BDBM50352026 |
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| Synonyms: | CHEMBL1823570 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H21O6S2 |
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| Mol. Mass. | 445.529 |
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| SMILES | Cc1ccc2sc(CC3=C(OCc4cccs4)[C@@H](O)[C@H](O)C[C@]3(O)C([O-])=O)cc2c1 |r,c:8| |
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| Structure | 
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