Reaction Details |
| Report a problem with these data |
Target | 3-dehydroquinate dehydratase |
---|
Ligand | BDBM50170813 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_303647 (CHEMBL828995) |
---|
pH | 8.2±n/a |
---|
Ki | 10000±n/a nM |
---|
Comments | extracted |
---|
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 |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
3-dehydroquinate dehydratase |
---|
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
|
|
|
BDBM50170813 |
---|
n/a |
---|
Name | BDBM50170813 |
Synonyms: | (1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-cyclohex-2-enecarboxylic acid | 2-ANHYDRO-3-FLUORO-QUINIC ACID | CHEMBL365468 |
Type | Small organic molecule |
Emp. Form. | C7H9FO5 |
Mol. Mass. | 192.1418 |
SMILES | O[C@@H]1C[C@@](O)(C=C(F)[C@H]1O)C(O)=O |t:5| |
Structure |
|