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PDB code 2JFZ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate racemase

  (239/255 = 94%)
(Helicobacter pylori)
BDBM26431
PNG
((2R)-2-aminopentanedioic acid | CHEMBL76232 | D-Gl...)
Show SMILES N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
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Article
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5.80E+3n/an/an/an/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori glutamate racemase


Nature 447: 817-822 (2007)


Article DOI: 10.1038/nature05689
BindingDB Entry DOI: 10.7270/Q2HX1DJ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase

  (239/255 = 94%)
(Helicobacter pylori)
BDBM50215444
PNG
(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori glutamate racemase


Nature 447: 817-822 (2007)


Article DOI: 10.1038/nature05689
BindingDB Entry DOI: 10.7270/Q2HX1DJ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase

  (239/255 = 94%)
(Helicobacter pylori)
BDBM50215444
PNG
(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3
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n/an/an/a 2.90E+3n/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to Helicobacter pylori MurI by isothermal titration calorimetry


Nature 447: 817-822 (2007)


Article DOI: 10.1038/nature05689
BindingDB Entry DOI: 10.7270/Q2HX1DJ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase

  (239/255 = 94%)
(Helicobacter pylori)
BDBM50215444
PNG
(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori MurI


Bioorg Med Chem Lett 18: 4716-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.092
BindingDB Entry DOI: 10.7270/Q2N29WSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate racemase

  (239/255 = 94%)
(Helicobacter pylori)
BDBM50215444
PNG
(5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETH...)
Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3
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n/an/an/a 3.90E+3n/an/an/an/an/a



AstraZeneca Global Structural Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to Helicobacter pylori MurI by protein fluorescence binding assay


Nature 447: 817-822 (2007)


Article DOI: 10.1038/nature05689
BindingDB Entry DOI: 10.7270/Q2HX1DJ3
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