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Target
3-dehydroquinate dehydratase
Ligand
BDBM50170809
Substrate
n/a
Meas. Tech.
ChEMBL_766423 (CHEMBL1826563)
Ki
54±n/a nM
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 Chem 54:6063-84 (2011) [PubMed]  Article 
Target
Name:
3-dehydroquinate dehydratase
Synonyms:
AROQ_MYCTU | aroD | aroQ
Type:
PROTEIN
Mol. Mass.:
15786.25
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_766423
Residue:
147
Sequence:
MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVVRQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT
  
Inhibitor
Name:
BDBM50170809
Synonyms:
(1R,4R,5R)-1,4,5-Trihydroxy-3-(3-nitro-phenyl)-cyclohex-2-enecarboxylic acid | CHEMBL188524
Type:
Small organic molecule
Emp. Form.:
C13H13NO7
Mol. Mass.:
295.2448
SMILES:
O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccc(c1)[N+]([O-])=O)C(O)=O |c:5|
Structure:
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