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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))' and Ligand = 'BDBM108232'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108232
PNG
(1‐isopropyl‐3,5‐dimethyl‐4...)
Show SMILES CC(C)n1nc(C)c(N=O)c1C
Show InChI InChI=1S/C8H13N3O/c1-5(2)11-7(4)8(10-12)6(3)9-11/h5H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+6n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair