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Compile Data Set for Download or QSAR

Found 3 hits of ph data with Target = 'Glutathione-binding protein (GbpAAp)'   
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
Glutathione-binding protein (GbpAAp)


(Actinobacillus pleuropneumoniae)
BDBM225231
PNG
(Disulfide, Glutathione | GSSG | OXIGLUTATIONE | Ox...)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
PDB

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KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 330n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutathione-binding protein (GbpAAp)


(Actinobacillus pleuropneumoniae)
BDBM225232
PNG
(S-methylglutathione)
Show SMILES CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
PDB

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DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 1.17E+3n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair
Glutathione-binding protein (GbpAAp)


(Actinobacillus pleuropneumoniae)
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 1.58E+3n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair