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Target
3-dehydroquinate dehydratase
Ligand
BDBM50170812
Substrate
n/a
Meas. Tech.
ChEMBL_332878 (CHEMBL866381)
Kd
200000±n/a nM
Citation
 Robinson, DA; Stewart, KA; Price, NC; Chalk, PA; Coggins, JR; Lapthorn, AJ Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design. J Med Chem 49:1282-90 (2006) [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:
BDBM50170812
Synonyms:
(1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxylic acid | 2,3 -ANHYDRO-QUINIC ACID | 2,3-anhydroquinic acid | CHEMBL190265
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
O[C@@H]1C[C@@](O)(C=C[C@H]1O)C(O)=O |c:5|
Structure:
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