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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'ranieri' and Initial = 'g'   
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
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Burkholderia pseudomallei (strain K96243))
BDBM31916
PNG
(Tryptophanhydroxamate, 13)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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UniChem

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PDB
Article
PubMed
n/an/an/a 3.60E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128273
BindingDB Entry DOI: 10.7270/Q2VT1WTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Burkholderia pseudomallei (strain K96243))
BDBM50566954
PNG
(CHEMBL4874588)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.40E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128273
BindingDB Entry DOI: 10.7270/Q2VT1WTJ
More data for this
Ligand-Target Pair
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Burkholderia pseudomallei (strain K96243))
BDBM21974
PNG
((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHE...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128273
BindingDB Entry DOI: 10.7270/Q2VT1WTJ
More data for this
Ligand-Target Pair
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Escherichia coli (strain K12))
BDBM31916
PNG
(Tryptophanhydroxamate, 13)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.20E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Escherichia coli IspF at pH 7.4 measured by isothermal titration calorimetry method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128273
BindingDB Entry DOI: 10.7270/Q2VT1WTJ
More data for this
Ligand-Target Pair
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Burkholderia pseudomallei (strain K96243))
BDBM31916
PNG
(Tryptophanhydroxamate, 13)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 8.48E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Burkholderia pseudomallei IspF at pH 6 measured by isothermal titration calorimetry method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128273
BindingDB Entry DOI: 10.7270/Q2VT1WTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Burkholderia pseudomallei (strain K96243))
BDBM31916
PNG
(Tryptophanhydroxamate, 13)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 2.40E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Burkholderia pseudomallei IspF at pH 8 measured by isothermal titration calorimetry method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128273
BindingDB Entry DOI: 10.7270/Q2VT1WTJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase


(Burkholderia pseudomallei (strain K96243))
BDBM50043799
PNG
((2R)-2-amino-3-(1H-indol-3-yl)propanoic acid | (R)...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Burkholderia pseudomallei IspF at pH 7.4 measured by isothermal titration calorimetry method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128273
BindingDB Entry DOI: 10.7270/Q2VT1WTJ
More data for this
Ligand-Target Pair