BDBM50170810 (1S,3R,4R)-1,3,4-Trihydroxy-5-hydroxyimino-cyclohexanecarboxylic acid::3-HYDROXYIMINO QUINIC ACID::CHEMBL363381
SMILES: ONC1C[C@](O)(CC(=O)[C@@H]1O)C(O)=O
InChI Key: InChIKey=GHDVXWJMSLWGGL-BUMVPUIUSA-N
Data: 1 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3-dehydroquinate dehydratase (Mycobacterium tuberculosis) | BDBM50170810 ((1S,3R,4R)-1,3,4-Trihydroxy-5-hydroxyimino-cyclohe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 8.2 | n/a |
Universidad de Santiago de Compostela Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis type II dehydroquinase at 25 degree C pH 8.2 | J Med Chem 48: 4871-81 (2005) Article DOI: 10.1021/jm0501836 BindingDB Entry DOI: 10.7270/Q2RX9BMC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |