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Compile Data Set for Download or QSAR

Found 8 hits of ki for UniProtKB: P24173   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lipopolysaccharide heptosyltransferase 1


(Escherichia coli (strain K12))
BDBM34103
PNG
(D-glucose | dextrose | glucose)
Show SMILES OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
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Article
PubMed
2.80E+5n/an/an/an/an/an/an/an/a



Wesleyan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...


Bioorg Med Chem Lett 28: 594-600 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.040
BindingDB Entry DOI: 10.7270/Q2J38W63
More data for this
Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1


(Escherichia coli (strain K12))
BDBM50454776
PNG
(CHEMBL4209246)
Show SMILES CCCC\C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H24O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h5-6,9-17H,2-4,7-8H2,1H3/b6-5+/t9-,10-,11+,12-,13-/m1/s1
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KEGG
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UniChem
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PubMed
3.40E+5n/an/an/an/an/an/an/an/a



Wesleyan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...


Bioorg Med Chem Lett 28: 594-600 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.040
BindingDB Entry DOI: 10.7270/Q2J38W63
More data for this
Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1


(Escherichia coli (strain K12))
BDBM20876
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-...)
Show SMILES CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1
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KEGG
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Article
PubMed
3.70E+5n/an/an/an/an/an/an/an/a



Wesleyan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...


Bioorg Med Chem Lett 28: 594-600 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.040
BindingDB Entry DOI: 10.7270/Q2J38W63
More data for this
Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1


(Escherichia coli (strain K12))
BDBM228805
PNG
(Galactose)
Show SMILES OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
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UniProtKB/SwissProt

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MCE
KEGG
PC cid
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UniChem
Article
PubMed
5.00E+5n/an/an/an/an/an/an/an/a



Wesleyan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...


Bioorg Med Chem Lett 28: 594-600 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.040
BindingDB Entry DOI: 10.7270/Q2J38W63
More data for this
Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1


(Escherichia coli (strain K12))
BDBM50454780
PNG
(CHEMBL4212177)
Show SMILES CCCCCCCC\C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-17-16(21)15(20)14(19)13(12-18)23-17/h9-10,13-21H,2-8,11-12H2,1H3/b10-9+/t13-,14-,15+,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
5.20E+5n/an/an/an/an/an/an/an/a



Wesleyan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...


Bioorg Med Chem Lett 28: 594-600 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.040
BindingDB Entry DOI: 10.7270/Q2J38W63
More data for this
Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1


(Escherichia coli (strain K12))
BDBM50454777
PNG
(CHEMBL4205643)
Show SMILES CCCC\C=C\CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H24O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h5-6,9-17H,2-4,7-8H2,1H3/b6-5+/t9-,10+,11+,12-,13-/m1/s1
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
5.70E+5n/an/an/an/an/an/an/an/a



Wesleyan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...


Bioorg Med Chem Lett 28: 594-600 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.040
BindingDB Entry DOI: 10.7270/Q2J38W63
More data for this
Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1


(Escherichia coli (strain K12))
BDBM50454779
PNG
(CHEMBL4213641)
Show SMILES OC[C@H]1O[C@@H](OCC=C)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6-,7+,8-,9-/m1/s1
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
6.50E+5n/an/an/an/an/an/an/an/a



Wesleyan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...


Bioorg Med Chem Lett 28: 594-600 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.040
BindingDB Entry DOI: 10.7270/Q2J38W63
More data for this
Ligand-Target Pair
Lipopolysaccharide heptosyltransferase 1


(Escherichia coli (strain K12))
BDBM50454778
PNG
(CHEBI:320055 | CHEMBL132186)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
6.80E+5n/an/an/an/an/an/an/an/a



Wesleyan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Heptosyltransferase I assessed as reduction in ADP release using ODLA and ADP-heptose substrates in presence of phosph...


Bioorg Med Chem Lett 28: 594-600 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.040
BindingDB Entry DOI: 10.7270/Q2J38W63
More data for this
Ligand-Target Pair