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Compile Data Set for Download or QSAR

Found 4 hits of ph data with Target = 'tRNA synthetase (TyrRS)'   
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
tRNA synthetase (TyrRS)


(Staphylococcus aureus)
BDBM18128
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H]1[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O)C(O)=O
Show InChI InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1
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Article
PubMed
n/an/a 1n/an/an/an/a7.937



GSK



Assay Description
The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...


Protein Sci 10: 2008-16 (2001)


Article DOI: 10.1110/ps.18001
BindingDB Entry DOI: 10.7270/Q2NG4NXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
tRNA synthetase (TyrRS)


(Staphylococcus aureus)
BDBM18132
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES C[C@H]1O[C@@H]([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
PDB
UniChem

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MMDB
PDB
Article
PubMed
n/an/a 4n/an/an/an/a7.937



GSK



Assay Description
The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...


Protein Sci 10: 2008-16 (2001)


Article DOI: 10.1110/ps.18001
BindingDB Entry DOI: 10.7270/Q2NG4NXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
tRNA synthetase (TyrRS)


(Staphylococcus aureus)
BDBM18131
PNG
(SB-243545 | butyl (2S)-2-[(2S)-2-amino-3-(4-hydrox...)
Show SMILES CCCCOC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H]1[C@H](O)[C@](O)(CO)[C@@H](O)CN1O
Show InChI InChI=1S/C21H33N3O9/c1-2-3-8-33-20(30)16(17-18(28)21(31,11-25)15(27)10-24(17)32)23-19(29)14(22)9-12-4-6-13(26)7-5-12/h4-7,14-18,25-28,31-32H,2-3,8-11,22H2,1H3,(H,23,29)/t14-,15-,16-,17-,18-,21-/m0/s1
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KEGG

UniProtKB/SwissProt

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PC sid
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PDB
Article
PubMed
n/an/a 0.200n/an/an/an/a7.937



GSK



Assay Description
The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...


Protein Sci 10: 2008-16 (2001)


Article DOI: 10.1110/ps.18001
BindingDB Entry DOI: 10.7270/Q2NG4NXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
tRNA synthetase (TyrRS)


(Staphylococcus aureus)
BDBM18130
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H]1[C@H](O)[C@](O)(CO)[C@@H](O)CN1O)C(O)=O
Show InChI InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 3n/an/an/an/a7.937



GSK



Assay Description
The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...


Protein Sci 10: 2008-16 (2001)


Article DOI: 10.1110/ps.18001
BindingDB Entry DOI: 10.7270/Q2NG4NXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)