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Target
3-dehydroquinate dehydratase
Ligand
BDBM50303443
Substrate
n/a
Meas. Tech.
ChEMBL_766423 (CHEMBL1826563)
Ki
235±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:
BDBM50303443
Synonyms:
CHEMBL567136 | Sodium(1R,4S,5R)-1,4-Dihydroxy-3-(thien-3-yl)methoxycyclohex-2-en-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C12H13O6S
Mol. Mass.:
285.294
SMILES:
O[C@@H]1C[C@@](O)(C=C(OCc2cccs2)[C@H]1O)C([O-])=O |r,t:5|
Structure:
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