Reaction Details |
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Target | 3-dehydroquinate dehydratase |
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Ligand | BDBM50303446 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_766423 (CHEMBL1826563) |
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Ki | 31±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 |
Synonyms: | AROQ_MYCTU | aroD | aroQ |
Type: | PROTEIN |
Mol. Mass.: | 15786.25 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_766423 |
Residue: | 147 |
Sequence: | MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVVRQSDSEAQLL
DWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVHISNVHAREEFRRHSYLSP
IATGVIVGLGIQGYLLALRYLAEHVGT
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BDBM50303446 |
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n/a |
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Name | BDBM50303446 |
Synonyms: | CHEMBL576247 | Sodium(1R,4S,5R)-1,4,5-Trihydroxy-3-[(benzo[b]tiophen-5-yl)methoxy]cyclohex-2-en-1-carboxylate |
Type | Small organic molecule |
Emp. Form. | C16H15O6S |
Mol. Mass. | 335.352 |
SMILES | O[C@@H]1C[C@@](O)(C=C(OCc2ccc3sccc3c2)[C@H]1O)C([O-])=O |r,t:5| |
Structure |
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