Target
3-dehydroquinate dehydratase
Ligand
BDBM50352033
Substrate
n/a
Meas. Tech.
ChEMBL_766423 (CHEMBL1826563)
Ki
40±n/a nM
Citation
 Tizón, LOtero, JMPrazeres, VFLlamas-Saiz, ALFox, GCvan Raaij, MJLamb, HHawkins, ARAinsa, JACastedo, LGonzález-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:
BDBM50352033
Synonyms:
CHEMBL1823562
Type:
Small organic molecule
Emp. Form.:
C25H21O6S2
Mol. Mass.:
481.561
SMILES:
O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2cc3ccccc3s2)=C(OCc2cc3ccccc3s2)[C@H]1O |r,t:20|
Structure:
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