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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Flavin-Dependent Monooxygenase Siderophore A (SidA)' AND taxid = 1437362   
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
Flavin-Dependent Monooxygenase Siderophore A (SidA)


(Aspergillus fumigatus (Fungus))
BDBM205457
PNG
((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)
Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/s2
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PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Virginia Tech



Assay Description
Briefly, this assay consists of the formation of nitrite from hydroxyl amine that is quantified by formation of a chromophore with α-naphthylami...


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Ligand-Target Pair
Flavin-Dependent Monooxygenase Siderophore A (SidA)


(Aspergillus fumigatus (Fungus))
BDBM205457
PNG
((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)
Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
Show InChI InChI=1/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/s2
PDB

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/a 1.40E+3n/an/an/an/an/a



Virginia Tech



Assay Description
The 96 well plates were used, and the reaction volume was 25 μL using 50 mM sodium phosphate buffer (pH 7.0). For the screening, 30 nM of ADP-TA...


Citation and Details
More data for this
Ligand-Target Pair