BDBM50170812 (1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxylic acid::2,3 -ANHYDRO-QUINIC ACID::2,3-anhydroquinic acid::CHEMBL190265

SMILES O[C@@H]1C[C@@](O)(C=C[C@H]1O)C(O)=O

InChI Key InChIKey=VTEDVYGIJPLVFF-UHFFFAOYSA-N

Data  1 KI  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170812   

Target3-dehydroquinate dehydratase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
University of Glasgow

Curated by ChEMBL
LigandPNGBDBM50170812((1R,4R,5R)-1,4,5-Trihydroxy-cyclohex-2-enecarboxyl...)
Affinity DataKi:  2.00E+5nMpH: 8.2Assay Description:Inhibition of Mycobacterium tuberculosis type II dehydroquinase at 25 degree C pH 8.2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed