BindingDB logo
myBDB logout

PubMed code 10091687

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a<2n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075058
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-6-5-7-13(8-12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075061
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C25H31N3O8S2/c1-4-13(2)20(26)24(31)28-38(32,33)35-11-19-21(29)22(30)23(36-19)25-27-18(12-37-25)16-6-5-15-10-17(34-3)8-7-14(15)9-16/h5-10,12-13,19-23,29-30H,4,11,26H2,1-3H3,(H,28,31)/t13?,19-,20+,21-,22-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075056
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-13(2)17(23)21(28)25-34(29,30)31-11-16-18(26)19(27)20(32-16)22-24-15(12-33-22)10-9-14-7-5-4-6-8-14/h4-8,12-13,16-20,26-27H,3,9-11,23H2,1-2H3,(H,25,28)/t13?,16-,17+,18-,19-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075059
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1OC
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-13(10-33-21)12-7-5-6-8-14(12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075058
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-6-5-7-13(8-12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 34n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
BDBM50075056
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-13(2)17(23)21(28)25-34(29,30)31-11-16-18(26)19(27)20(32-16)22-24-15(12-33-22)10-9-14-7-5-4-6-8-14/h4-8,12-13,16-20,26-27H,3,9-11,23H2,1-2H3,(H,25,28)/t13?,16-,17+,18-,19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 40n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075056
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-13(2)17(23)21(28)25-34(29,30)31-11-16-18(26)19(27)20(32-16)22-24-15(12-33-22)10-9-14-7-5-4-6-8-14/h4-8,12-13,16-20,26-27H,3,9-11,23H2,1-2H3,(H,25,28)/t13?,16-,17+,18-,19-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 40n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075070
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-15(2)21(27)25(32)29-39(33,34)35-13-20-22(30)23(31)24(37-20)26-28-19(14-38-26)16-9-11-18(12-10-16)36-17-7-5-4-6-8-17/h4-12,14-15,20-24,30-31H,3,13,27H2,1-2H3,(H,29,32)/t15?,20-,21+,22-,23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 45n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
BDBM50075058
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-6-5-7-13(8-12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 50n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>54n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 90n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075063
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-5-7-13(30-3)8-6-12/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
BDBM50075063
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-5-7-13(30-3)8-6-12/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075065
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 110n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
BDBM50075065
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 120n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075062
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cc(co1)C#N
Show InChI InChI=1S/C19H24N4O8S2/c1-3-9(2)14(21)18(26)23-33(27,28)30-7-13-15(24)16(25)17(31-13)19-22-11(8-32-19)12-4-10(5-20)6-29-12/h4,6,8-9,13-17,24-25H,3,7,21H2,1-2H3,(H,23,26)/t9?,13-,14+,15-,16-,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 120n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
BDBM50075061
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C25H31N3O8S2/c1-4-13(2)20(26)24(31)28-38(32,33)35-11-19-21(29)22(30)23(36-19)25-27-18(12-37-25)16-6-5-15-10-17(34-3)8-7-14(15)9-16/h5-10,12-13,19-23,29-30H,4,11,26H2,1-3H3,(H,28,31)/t13?,19-,20+,21-,22-,23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075063
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-14(10-33-21)12-5-7-13(30-3)8-6-12/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 200n/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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
BDBM50075062
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cc(co1)C#N
Show InChI InChI=1S/C19H24N4O8S2/c1-3-9(2)14(21)18(26)23-33(27,28)30-7-13-15(24)16(25)17(31-13)19-22-11(8-32-19)12-4-10(5-20)6-29-12/h4,6,8-9,13-17,24-25H,3,7,21H2,1-2H3,(H,23,26)/t9?,13-,14+,15-,16-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 240n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075062
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cc(co1)C#N
Show InChI InChI=1S/C19H24N4O8S2/c1-3-9(2)14(21)18(26)23-33(27,28)30-7-13-15(24)16(25)17(31-13)19-22-11(8-32-19)12-4-10(5-20)6-29-12/h4,6,8-9,13-17,24-25H,3,7,21H2,1-2H3,(H,23,26)/t9?,13-,14+,15-,16-,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 240n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
BDBM50075070
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-15(2)21(27)25(32)29-39(33,34)35-13-20-22(30)23(31)24(37-20)26-28-19(14-38-26)16-9-11-18(12-10-16)36-17-7-5-4-6-8-17/h4-12,14-15,20-24,30-31H,3,13,27H2,1-2H3,(H,29,32)/t15?,20-,21+,22-,23-,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075059
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1OC
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-13(10-33-21)12-7-5-6-8-14(12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
BDBM50075059
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1OC
Show InChI InChI=1S/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-13(10-33-21)12-7-5-6-8-14(12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 330n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075070
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-15(2)21(27)25(32)29-39(33,34)35-13-20-22(30)23(31)24(37-20)26-28-19(14-38-26)16-9-11-18(12-10-16)36-17-7-5-4-6-8-17/h4-12,14-15,20-24,30-31H,3,13,27H2,1-2H3,(H,29,32)/t15?,20-,21+,22-,23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 370n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075061
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C25H31N3O8S2/c1-4-13(2)20(26)24(31)28-38(32,33)35-11-19-21(29)22(30)23(36-19)25-27-18(12-37-25)16-6-5-15-10-17(34-3)8-7-14(15)9-16/h5-10,12-13,19-23,29-30H,4,11,26H2,1-3H3,(H,28,31)/t13?,19-,20+,21-,22-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 400n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50075065
PNG
(((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...)
Show SMILES CCC(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/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase


(Staphylococcus aureus)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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 human isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Alanine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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 Alanine-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Alanine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
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 Alanine-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Alanine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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 Alanine-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Alanine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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 Alanine-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Isoleucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Alanine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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 Alanine-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase


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


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%