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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Fructose-bisphosphate aldolase class 2' AND taxid = 83333   
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
Fructose-bisphosphate aldolase class 2


(Escherichia coli (strain K12))
BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
10n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class II FBP aldolase from Escherichia coli


Bioorg Med Chem Lett 15: 5375-7 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fructose-bisphosphate aldolase class 2


(Escherichia coli (strain K12))
BDBM50175712
PNG
(2-oxo-2-(phenylsulfonamido)ethyl dihydrogen phosph...)
Show SMILES OP(O)(=O)OCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C8H10NO7PS/c10-8(6-16-17(11,12)13)9-18(14,15)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)(H2,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class II FBP aldolase from Escherichia coli


Bioorg Med Chem Lett 15: 5375-7 (2005)

More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase class 2


(Escherichia coli (strain K12))
BDBM50175714
PNG
(2-(methylsulfonamido)-2-oxoethyl dihydrogen phosph...)
Show SMILES CS(=O)(=O)NC(=O)COP(O)(O)=O
Show InChI InChI=1S/C3H8NO7PS/c1-13(9,10)4-3(5)2-11-12(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
3.50E+5n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class II FBP aldolase from Escherichia coli


Bioorg Med Chem Lett 15: 5375-7 (2005)

More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase class 2


(Escherichia coli (strain K12))
BDBM50167776
PNG
((2-Hydroxycarbamoyl-ethyl)-phosphonic acid | 3-(hy...)
Show SMILES ONC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C3H8NO5P/c5-3(4-6)1-2-10(7,8)9/h6H,1-2H2,(H,4,5)(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class II FBP aldolase from Escherichia coli


Bioorg Med Chem Lett 15: 5375-7 (2005)

More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase class 2


(Escherichia coli (strain K12))
BDBM50175713
PNG
(3-oxo-3-(phenylsulfonamido)propylphosphonic acid |...)
Show SMILES OP(O)(=O)CCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H12NO6PS/c11-9(6-7-17(12,13)14)10-18(15,16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class II FBP aldolase from Escherichia coli


Bioorg Med Chem Lett 15: 5375-7 (2005)

More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase class 2


(Escherichia coli (strain K12))
BDBM50175715
PNG
(3-(methylsulfonamido)-3-oxopropylphosphonic acid |...)
Show SMILES CS(=O)(=O)NC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C4H10NO6PS/c1-13(10,11)5-4(6)2-3-12(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class II FBP aldolase from Escherichia coli


Bioorg Med Chem Lett 15: 5375-7 (2005)

More data for this
Ligand-Target Pair