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Compile Data Set for Download or QSAR

Found 8 hits of kd for UniProtKB: P0A8L1   
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
Serine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50339906
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
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n/an/an/a 1.30n/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as dissociation constant by isoth...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50339906
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
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n/an/an/a 1.30n/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as dissociation constant by isoth...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50530859
PNG
(CHEMBL4561900)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccnc1 |r|
Show InChI InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1
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n/an/an/a 290n/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as affinity constant for first bi...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50530859
PNG
(CHEMBL4561900)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccnc1 |r|
Show InChI InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1
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n/an/an/a 290n/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as affinity constant for first bi...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50530859
PNG
(CHEMBL4561900)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccnc1 |r|
Show InChI InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1
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n/an/an/a 290n/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as dissociation constant by isoth...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50530859
PNG
(CHEMBL4561900)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccnc1 |r|
Show InChI InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1
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n/an/an/a 290n/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as dissociation constant by isoth...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50530859
PNG
(CHEMBL4561900)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccnc1 |r|
Show InChI InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1
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n/an/an/a 1.92E+3n/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as affinity constant for second b...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50530859
PNG
(CHEMBL4561900)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccnc1 |r|
Show InChI InChI=1S/C18H22N8O8S/c19-9(5-27)17(30)25-35(31,32)33-6-10-12(28)13(29)18(34-10)26-7-22-11-14(20)23-15(24-16(11)26)8-2-1-3-21-4-8/h1-4,7,9-10,12-13,18,27-29H,5-6,19H2,(H,25,30)(H2,20,23,24)/t9-,10+,12+,13+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
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n/an/an/a 1.92E+3n/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal His10-tagged Escherichia coli B ER2560 SerRS expressed in Lemo21(DE3) SerRS assessed as affinity constant for second b...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)