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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Exo-1,5-α-L-arabinofuranobiosidase (Arb93A)' AND taxid = 5518   
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
Exo-1,5-α-L-arabinofuranobiosidase (Arb93A)


(Fusarium graminearum (Wheat head blight fungus))
BDBM231679
PNG
((Z)-α-L-arabinofuranosyl-(1→5)-O-(L-ara...)
Show SMILES OC[C@@H]1O[C@@H](OC[C@@H]2O\C(=N/OC(=O)Nc3ccccc3)C(O)[C@@H]2O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H22N2O10/c20-6-9-11(21)14(24)16(28-9)26-7-10-12(22)13(23)15(27-10)19-29-17(25)18-8-4-2-1-3-5-8/h1-5,9-14,16,20-24H,6-7H2,(H,18,25)/b19-15-/t9-,10-,11+,12+,13?,14?,16+/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of Western Australia



Assay Description
All assays against Arb93A using the PACE method were carried out as described by[Carapito et al.[Carapito et al., J. Biol. Chem., 284:12285] using in...


Chembiochem 18: 974-978 (2017)


Article DOI: 10.1002/cbic.201700073
BindingDB Entry DOI: 10.7270/Q22Z14D9
More data for this
Ligand-Target Pair
Exo-1,5-α-L-arabinofuranobiosidase (Arb93A)


(Fusarium graminearum (Wheat head blight fungus))
BDBM231679
PNG
((Z)-α-L-arabinofuranosyl-(1→5)-O-(L-ara...)
Show SMILES OC[C@@H]1O[C@@H](OC[C@@H]2O\C(=N/OC(=O)Nc3ccccc3)C(O)[C@@H]2O)C(O)[C@@H]1O
Show InChI InChI=1S/C17H22N2O10/c20-6-9-11(21)14(24)16(28-9)26-7-10-12(22)13(23)15(27-10)19-29-17(25)18-8-4-2-1-3-5-8/h1-5,9-14,16,20-24H,6-7H2,(H,18,25)/b19-15-/t9-,10-,11+,12+,13?,14?,16+/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40E+4n/an/an/an/an/an/an/an/a



University of Western Australia



Assay Description
All assays against Arb93A using the PACE method were carried out as described by[Carapito et al.[Carapito et al., J. Biol. Chem., 284:12285] using in...


Chembiochem 18: 974-978 (2017)


Article DOI: 10.1002/cbic.201700073
BindingDB Entry DOI: 10.7270/Q22Z14D9
More data for this
Ligand-Target Pair
Exo-1,5-α-L-arabinofuranobiosidase (Arb93A)


(Fusarium graminearum (Wheat head blight fungus))
BDBM231678
PNG
((Z)-α-L-arabinofuranosyl-(1→5)-L-arabin...)
Show SMILES OC[C@@H]1O[C@@H](OC[C@@H]2O\C(=N/O)C(O)[C@@H]2O)C(O)[C@@H]1O
Show InChI InChI=1S/C10H17NO9/c12-1-3-5(13)8(16)10(20-3)18-2-4-6(14)7(15)9(11-17)19-4/h3-8,10,12-17H,1-2H2/b11-9-/t3-,4-,5+,6+,7?,8?,10+/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.60E+4n/an/an/an/an/an/an/an/a



University of Western Australia



Assay Description
All assays against Arb93A using the PACE method were carried out as described by[Carapito et al.[Carapito et al., J. Biol. Chem., 284:12285] using in...


Chembiochem 18: 974-978 (2017)


Article DOI: 10.1002/cbic.201700073
BindingDB Entry DOI: 10.7270/Q22Z14D9
More data for this
Ligand-Target Pair
Exo-1,5-α-L-arabinofuranobiosidase (Arb93A)


(Fusarium graminearum (Wheat head blight fungus))
BDBM231678
PNG
((Z)-α-L-arabinofuranosyl-(1→5)-L-arabin...)
Show SMILES OC[C@@H]1O[C@@H](OC[C@@H]2O\C(=N/O)C(O)[C@@H]2O)C(O)[C@@H]1O
Show InChI InChI=1S/C10H17NO9/c12-1-3-5(13)8(16)10(20-3)18-2-4-6(14)7(15)9(11-17)19-4/h3-8,10,12-17H,1-2H2/b11-9-/t3-,4-,5+,6+,7?,8?,10+/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.20E+4n/an/an/an/an/an/an/an/a



University of Western Australia



Assay Description
All assays against Arb93A using the PACE method were carried out as described by[Carapito et al.[Carapito et al., J. Biol. Chem., 284:12285] using in...


Chembiochem 18: 974-978 (2017)


Article DOI: 10.1002/cbic.201700073
BindingDB Entry DOI: 10.7270/Q22Z14D9
More data for this
Ligand-Target Pair