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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'tRNA synthetase (GluRS)' AND taxid = 83333   
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
tRNA synthetase (GluRS)


(Escherichia coli)
BDBM18122
PNG
((4S)-4-amino-5-[({[(2R,3S,4R,5R)-5-(6-amino-9H-pur...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
2.80 -50.8n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...


Citation and Details
More data for this
Ligand-Target Pair
tRNA synthetase (GluRS)


(Escherichia coli)
BDBM18123
PNG
((5S)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H19N7O8S/c16-12-9-13(18-4-17-12)22(5-19-9)15-11(25)10(24)7(30-15)3-29-31(27,28)21-14(26)6-1-2-8(23)20-6/h4-7,10-11,15,24-25H,1-3H2,(H,20,23)(H,21,26)(H2,16,17,18)/t6-,7+,10+,11+,15+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.50E+4 -28.6n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...


Citation and Details
More data for this
Ligand-Target Pair
tRNA synthetase (GluRS)


(Escherichia coli)
BDBM18118
PNG
((4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-puri...)
Show SMILES N[C@@H](CCC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H23N6O9P/c17-7(1-2-10(24)25)8(23)4-32(28,29)30-3-9-12(26)13(27)16(31-9)22-6-21-11-14(18)19-5-20-15(11)22/h5-7,9,12-13,16,26-27H,1-4,17H2,(H,24,25)(H,28,29)(H2,18,19,20)/t7-,9+,12+,13+,16+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.80E+4 -28.2n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...


Citation and Details
More data for this
Ligand-Target Pair
tRNA synthetase (GluRS)


(Escherichia coli)
BDBM18120
PNG
(Gln-KPA | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)...)
Show SMILES N[C@@H](CCC(N)=O)C(=O)CP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H24N7O8P/c17-7(1-2-10(18)25)8(24)4-32(28,29)30-3-9-12(26)13(27)16(31-9)23-6-22-11-14(19)20-5-21-15(11)23/h5-7,9,12-13,16,26-27H,1-4,17H2,(H2,18,25)(H,28,29)(H2,19,20,21)/p-1/t7-,9+,12+,13+,16+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.90E+6 -15.1n/an/an/an/an/a7.237



CREFSIP



Assay Description
The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...


Citation and Details
More data for this
Ligand-Target Pair