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PDB code 2AA9

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
5-enolpyruvylshikimate-3-phosphate synthase

  (427/427 = 100%)
(Escherichia coli (strain K12))
BDBM50281998
PNG
((3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carbox...)
Show SMILES O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O |r,c:3|
Show InChI InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/s2
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Article
n/an/a>9.00E+7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase


Bioorg Med Chem Lett 3: 1435-1440 (1993)

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