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PDB code 4E8Z

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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
D-beta-D-heptose 7-phosphate kinase

  (316/316 = 100%)
(Burkholderia cepacia (strain J2315 / LMG 16656) (B...)
BDBM50425038
PNG
(CHEMBL2312560)
Show SMILES OC(=O)COc1ccc2sc(CNc3nncc(n3)-c3c(Cl)cccc3Cl)nc2c1
Show InChI InChI=1S/C19H13Cl2N5O3S/c20-11-2-1-3-12(21)18(11)14-7-23-26-19(25-14)22-8-16-24-13-6-10(29-9-17(27)28)4-5-15(13)30-16/h1-7H,8-9H2,(H,27,28)(H,22,25,26)
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n/an/a 230n/an/an/an/an/an/a



McMaster University

Curated by ChEMBL


Assay Description
Inhibition of Burkholderia cenocepacia HldA assessed as ATP depletion after 30 mins by luminescence assay


J Med Chem 56: 1405-17 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output