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Target
3-dehydroquinate dehydratase
Ligand
BDBM50170807
Substrate
n/a
Meas. Tech.
ChEMBL_303647 (CHEMBL828995)
pH
8.2000±n/a
Ki
2440±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 Chem 48:4871-81 (2005) [PubMed]  Article 
Target
Name:
3-dehydroquinate dehydratase
Synonyms:
AROQ_MYCTU | aroQ | aroD
Type:
PROTEIN
Mol. Mass.:
15786.25
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_766423
Residue:
147
Sequence:
MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVVRQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT
  
Inhibitor
Name:
BDBM50170807
Synonyms:
(1R,4R,5R)-3-(3,5-Difluoro-phenyl)-1,4,5-trihydroxy-cyclohex-2-enecarboxylic acid | CHEMBL187999
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cc(F)cc(F)c1)C(O)=O |c:5|
Structure:
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