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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Leucyl-tRNA synthetase'   
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
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075067
PNG
(((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H31N3O8S2/c1-15(2)12-19(27)25(32)29-39(33,34)35-13-21-22(30)23(31)24(37-21)26-28-20(14-38-26)16-8-10-18(11-9-16)36-17-6-4-3-5-7-17/h3-11,14-15,19,21-24,30-31H,12-13,27H2,1-2H3,(H,29,32)/t19-,21+,22+,23+,24+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075055
PNG
(((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1
Show InChI InChI=1S/C28H35N3O8S2/c1-17(2)14-22(29)27(34)31-41(35,36)37-15-23-24(32)25(33)26(39-23)28-30-19(16-40-28)11-8-18-9-12-21(13-10-18)38-20-6-4-3-5-7-20/h3-7,9-10,12-13,16-17,22-26,32-33H,8,11,14-15,29H2,1-2H3,(H,31,34)/t22-,23+,24+,25+,26+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50093005
PNG
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentano...)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O
Show InChI InChI=1S/C19H31N5O8S/c1-9(2)4-13(20)17(28)23-33(31,32)8-15(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-14(19)25/h6,9-10,12-14,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t10-,12+,13-,14-,19+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29


Bioorg Med Chem Lett 10: 2263-6 (2001)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075067
PNG
(((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H31N3O8S2/c1-15(2)12-19(27)25(32)29-39(33,34)35-13-21-22(30)23(31)24(37-21)26-28-20(14-38-26)16-8-10-18(11-9-16)36-17-6-4-3-5-7-17/h3-11,14-15,19,21-24,30-31H,12-13,27H2,1-2H3,(H,29,32)/t19-,21+,22+,23+,24+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075069
PNG
(((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccccc2)cs1
Show InChI InChI=1S/C22H31N3O7S2/c1-13(2)10-16(23)21(28)25-34(29,30)31-11-17-18(26)19(27)20(32-17)22-24-15(12-33-22)9-8-14-6-4-3-5-7-14/h3-7,12-13,16-20,26-27H,8-11,23H2,1-2H3,(H,25,28)/t16-,17+,18+,19+,20+/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075055
PNG
(((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1
Show InChI InChI=1S/C28H35N3O8S2/c1-17(2)14-22(29)27(34)31-41(35,36)37-15-23-24(32)25(33)26(39-23)28-30-19(16-40-28)11-8-18-9-12-21(13-10-18)38-20-6-4-3-5-7-20/h3-7,9-10,12-13,16-17,22-26,32-33H,8,11,14-15,29H2,1-2H3,(H,31,34)/t22-,23+,24+,25+,26+/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50111476
PNG
(1-[5-(4''-Chloro-biphenyl-4-yloxy)-pentyl]-3-pyrid...)
Show SMILES Clc1ccc(cc1)-c1ccc(OCCCCCN2CCN(C2=O)c2ccncc2)cc1
Show InChI InChI=1S/C25H26ClN3O2/c26-22-8-4-20(5-9-22)21-6-10-24(11-7-21)31-19-3-1-2-16-28-17-18-29(25(28)30)23-12-14-27-15-13-23/h4-15H,1-3,16-19H2
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n/an/a 1.31E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory activity against Echovirus 9 using plaque reduction assay


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50093003
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O
Show InChI InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29


Bioorg Med Chem Lett 10: 2263-6 (2001)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50093001
PNG
((4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyryl...)
Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O
Show InChI InChI=1S/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29


Bioorg Med Chem Lett 10: 2263-6 (2001)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075064
PNG
(((S)-2-Amino-3-methyl-butyryl)-sulfamic acid (2R,3...)
Show SMILES CC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C19H25N3O7S2/c1-10(2)14(20)18(25)22-31(26,27)28-8-13-15(23)16(24)17(29-13)19-21-12(9-30-19)11-6-4-3-5-7-11/h3-7,9-10,13-17,23-24H,8,20H2,1-2H3,(H,22,25)/t13-,14+,15-,16-,17-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of S. aureus Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50171203
PNG
(1-[(S)-5-(4'-Chloro-biphenyl-4-yloxy)-3-methyl-pen...)
Show SMILES C[C@H](CCOc1ccc(cc1)-c1ccc(Cl)cc1)CCN1CCN(C1=O)c1ccncc1
Show InChI InChI=1S/C26H28ClN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory activity against Echovirus 9 using plaque reduction assay


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50171204
PNG
(1-[(R)-5-(4'-Chloro-biphenyl-4-yloxy)-3-methyl-pen...)
Show SMILES C[C@@H](CCOc1ccc(cc1)-c1ccc(Cl)cc1)CCN1CCN(C1=O)c1ccncc1
Show InChI InChI=1S/C26H28ClN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3/t20-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory activity against Echovirus 9 using plaque reduction assay


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370990
PNG
(CHEMBL214011)
Show SMILES OB1OCCc2cc(F)ccc12
Show InChI InChI=1S/C8H8BFO2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-2,5,11H,3-4H2
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n/an/a 9.60E+4n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075057
PNG
(CHEMBL126919 | [(S)-2-Amino-3-(3H-imidazol-4-yl)-p...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H23N5O7S2/c21-13(6-12-7-22-10-23-12)19(28)25-34(29,30)31-8-15-16(26)17(27)18(32-15)20-24-14(9-33-20)11-4-2-1-3-5-11/h1-5,7,9-10,13,15-18,26-27H,6,8,21H2,(H,22,23)(H,25,28)/t13-,15+,16+,17+,18+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075060
PNG
(((S)-2-Amino-3-phenyl-propionyl)-sulfamic acid (2R...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H25N3O7S2/c24-16(11-14-7-3-1-4-8-14)22(29)26-35(30,31)32-12-18-19(27)20(28)21(33-18)23-25-17(13-34-23)15-9-5-2-6-10-15/h1-10,13,16,18-21,27-28H,11-12,24H2,(H,26,29)/t16-,18+,19+,20+,21+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075066
PNG
(((S)-2-Amino-propionyl)-sulfamic acid (2R,3S,4R,5R...)
Show SMILES C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O7S2/c1-9(18)16(23)20-29(24,25)26-7-12-13(21)14(22)15(27-12)17-19-11(8-28-17)10-5-3-2-4-6-10/h2-6,8-9,12-15,21-22H,7,18H2,1H3,(H,20,23)/t9-,12+,13+,14+,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of E. coli Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370992
PNG
(CHEMBL226509)
Show SMILES OC1OCc2cc(F)ccc12
Show InChI InChI=1S/C8H7FO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,8,10H,4H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM26128
PNG
((4-fluorophenyl)boranediol | CHEMBL344890 | Phenyl...)
Show SMILES OB(O)c1ccc(F)cc1
Show InChI InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370991
PNG
(CHEMBL388368)
Show SMILES COCc1cc(F)ccc1B(O)O
Show InChI InChI=1S/C8H10BFO3/c1-13-5-6-4-7(10)2-3-8(6)9(11)12/h2-4,11-12H,5H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370989
PNG
(CHEMBL226398)
Show SMILES Fc1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C8H5FO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370988
PNG
(CHEMBL225804)
Show SMILES Cc1cc(F)ccc1B(O)O
Show InChI InChI=1S/C7H8BFO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,10-11H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50093004
PNG
((4aR,6S,7R,7aS)-7-[2-((2S,3S)-2-Amino-3-methyl-pen...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(=O)OC
Show InChI InChI=1S/C20H33N5O8S/c1-5-10(2)16(21)18(29)24-34(31,32)9-15(27)23-20(19(30)33-4)13-8-25(3)7-12(17(22)28)11(13)6-14(20)26/h7,10-11,13-14,16,26H,5-6,8-9,21H2,1-4H3,(H2,22,28)(H,23,27)(H,24,29)/t10-,11-,13+,14-,16-,20+/m0/s1
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n/an/a 1.86E+5n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Leucyl-tRNA synthetase from staphylococcus aureus WCUH29


Bioorg Med Chem Lett 10: 2263-6 (2001)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase


(Homo sapiens)
BDBM50075068
PNG
(((2S,3S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H27N3O7S2/c1-3-11(2)15(21)19(26)23-32(27,28)29-9-14-16(24)17(25)18(30-14)20-22-13(10-31-20)12-7-5-4-6-8-12/h4-8,10-11,14-18,24-25H,3,9,21H2,1-2H3,(H,23,26)/t11-,14+,15-,16+,17+,18+/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound tested for the inhibition of human Leucyl-tRNA synthetase


Bioorg Med Chem Lett 9: 375-80 (1999)

More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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1.85E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 20 mins


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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3.14E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 2 mins


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


(Candida albicans (Ascomycetes))
BDBM163674
PNG
(AN2690-AMP)
Show SMILES CC[C@H]1O[C@H]([C@H]2O[B-]3(OCc4cc(F)ccc34)OC12)n1cnc2c(N)ncnc12
Show InChI InChI=1/C18H18BFN5O4/c1-2-12-14-15(18(27-12)25-8-24-13-16(21)22-7-23-17(13)25)29-19(28-14)11-4-3-10(20)5-9(11)6-26-19/h3-5,7-8,12,14-15,18H,2,6H2,1H3,(H2,21,22,23)/q-1/t12-,14?,15+,18-,19?/s2
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n/an/an/a 700n/an/an/a8.025



Grenoble Outstation and Unit of Virus Host-Cell Interactions, UJF-EMBL-CNRS, UMI 3265



Assay Description
ITC was performed using LeuRS CP1 domain wild-type, K510E mutant, or K510A mutant against AN2690-AMP at 25 C by an ITC200 system (MicroCal, GE Healt...


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase K510E mutant (K510E)


(Candida albicans (Ascomycetes))
BDBM163674
PNG
(AN2690-AMP)
Show SMILES CC[C@H]1O[C@H]([C@H]2O[B-]3(OCc4cc(F)ccc34)OC12)n1cnc2c(N)ncnc12
Show InChI InChI=1/C18H18BFN5O4/c1-2-12-14-15(18(27-12)25-8-24-13-16(21)22-7-23-17(13)25)29-19(28-14)11-4-3-10(20)5-9(11)6-26-19/h3-5,7-8,12,14-15,18H,2,6H2,1H3,(H2,21,22,23)/q-1/t12-,14?,15+,18-,19?/s2
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n/an/an/a 2.10E+4n/an/an/a8.025



Grenoble Outstation and Unit of Virus Host-Cell Interactions, UJF-EMBL-CNRS, UMI 3265



Assay Description
ITC was performed using LeuRS CP1 domain wild-type, K510E mutant, or K510A mutant against AN2690-AMP at 25 C by an ITC200 system (MicroCal, GE Healt...


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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n/an/an/a 2.08E+4n/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase in presence of AMP


Citation and Details
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase K510A mutant (K510A)


(Candida albicans (Ascomycetes))
BDBM163674
PNG
(AN2690-AMP)
Show SMILES CC[C@H]1O[C@H]([C@H]2O[B-]3(OCc4cc(F)ccc34)OC12)n1cnc2c(N)ncnc12
Show InChI InChI=1/C18H18BFN5O4/c1-2-12-14-15(18(27-12)25-8-24-13-16(21)22-7-23-17(13)25)29-19(28-14)11-4-3-10(20)5-9(11)6-26-19/h3-5,7-8,12,14-15,18H,2,6H2,1H3,(H2,21,22,23)/q-1/t12-,14?,15+,18-,19?/s2
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n/an/an/a 4.60E+4n/an/an/a8.025



Grenoble Outstation and Unit of Virus Host-Cell Interactions, UJF-EMBL-CNRS, UMI 3265



Assay Description
ITC was performed using LeuRS CP1 domain wild-type, K510E mutant, or K510A mutant against AN2690-AMP at 25 C by an ITC200 system (MicroCal, GE Healt...


Citation and Details
More data for this
Ligand-Target Pair