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Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with Target = 'MurC'   
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
MurC


(Escherichia coli)
BDBM50248217
PNG
(1-(4-Methoxyphenylsulfonamido)-3-morpholinopropan-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O
Show InChI InChI=1S/C14H23N2O8PS/c1-22-12-2-4-14(5-3-12)26(20,21)15-10-13(24-25(17,18)19)11-16-6-8-23-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)
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n/an/a 4.90E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Bioorg Chem 37: 217-22 (2009)


Article DOI: 10.1016/j.bioorg.2009.09.001
BindingDB Entry DOI: 10.7270/Q2D21W5D
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM50248218
PNG
(1-(4-Fluorophenylsulfonamido)-3-morpholinopropan-2...)
Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(F)cc1)CN1CCOCC1
Show InChI InChI=1S/C13H20FN2O7PS/c14-11-1-3-13(4-2-11)25(20,21)15-9-12(23-24(17,18)19)10-16-5-7-22-8-6-16/h1-4,12,15H,5-10H2,(H2,17,18,19)
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n/an/a 7.90E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Bioorg Chem 37: 217-22 (2009)


Article DOI: 10.1016/j.bioorg.2009.09.001
BindingDB Entry DOI: 10.7270/Q2D21W5D
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM85279
PNG
(HEA derivative, 7f)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O
Show InChI InChI=1S/C15H25N2O7PS/c1-2-13-3-5-15(6-4-13)26(21,22)16-11-14(24-25(18,19)20)12-17-7-9-23-10-8-17/h3-6,14,16H,2,7-12H2,1H3,(H2,18,19,20)
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n/an/a 7.60E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Bioorg Chem 37: 217-22 (2009)


Article DOI: 10.1016/j.bioorg.2009.09.001
BindingDB Entry DOI: 10.7270/Q2D21W5D
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM85277
PNG
(HEA derivative, 7d)
Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1cccc(c1)C(F)(F)F)CN1CCOCC1
Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-2-1-3-13(8-11)28(23,24)18-9-12(26-27(20,21)22)10-19-4-6-25-7-5-19/h1-3,8,12,18H,4-7,9-10H2,(H2,20,21,22)
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n/an/a 5.30E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Bioorg Chem 37: 217-22 (2009)


Article DOI: 10.1016/j.bioorg.2009.09.001
BindingDB Entry DOI: 10.7270/Q2D21W5D
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM85278
PNG
(HEA derivative, 7e)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O
Show InChI InChI=1S/C14H23N2O7PS/c1-12-2-4-14(5-3-12)25(20,21)15-10-13(23-24(17,18)19)11-16-6-8-22-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)
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n/an/a 5.40E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Bioorg Chem 37: 217-22 (2009)


Article DOI: 10.1016/j.bioorg.2009.09.001
BindingDB Entry DOI: 10.7270/Q2D21W5D
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM85276
PNG
(HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...)
Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1
Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)
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n/an/a 2.00E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Bioorg Chem 37: 217-22 (2009)


Article DOI: 10.1016/j.bioorg.2009.09.001
BindingDB Entry DOI: 10.7270/Q2D21W5D
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221024
PNG
(CHEMBL86851)
Show SMILES CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3
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n/an/a>9.11E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221031
PNG
(CHEMBL315456)
Show SMILES CC(C)c1ccc(cc1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C14H16N2OS/c1-9(2)10-3-5-11(6-4-10)16-14(17)13-12(15-16)7-8-18-13/h3-6,9,17H,7-8H2,1-2H3
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n/an/a>9.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221026
PNG
(CHEMBL89482)
Show SMILES Oc1c2SCCc2nn1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H8F6N2OS/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)21-11(22)10-9(20-21)1-2-23-10/h3-5,22H,1-2H2
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n/an/a>7.05E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221019
PNG
(CHEMBL87584)
Show SMILES CC1Cc2nn(c(O)c2S1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H11ClN2OS/c1-7-6-10-11(17-7)12(16)15(14-10)9-4-2-8(13)3-5-9/h2-5,7,16H,6H2,1H3
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n/an/a>9.37E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221036
PNG
(CHEMBL315316)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8(6-7)17-11(18)10-9(16-17)4-5-19-10/h1-3,6,18H,4-5H2
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n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221025
PNG
(CHEMBL83021)
Show SMILES Oc1c2SC(Cc2nn1-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H13ClN2OS/c18-12-6-8-13(9-7-12)20-17(21)16-14(19-20)10-15(22-16)11-4-2-1-3-5-11/h1-9,15,21H,10H2
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n/an/a>7.60E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221030
PNG
(CHEMBL313078)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3S/c15-11-10-9(5-6-18-10)12-13(11)7-1-3-8(4-2-7)14(16)17/h1-4,15H,5-6H2
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n/an/a 7.21E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221033
PNG
(CHEMBL420601)
Show SMILES NC(=O)c1cccc(c1)-n1nc2CCSc2c1O
Show InChI InChI=1S/C12H11N3O2S/c13-11(16)7-2-1-3-8(6-7)15-12(17)10-9(14-15)4-5-18-10/h1-3,6,17H,4-5H2,(H2,13,16)
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n/an/a>9.56E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221029
PNG
(CHEMBL87821)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1
Show InChI InChI=1S/C11H10N2OS/c14-11-10-9(6-7-15-10)12-13(11)8-4-2-1-3-5-8/h1-5,14H,6-7H2
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n/an/a>1.14E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221038
PNG
(CHEMBL87521)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8Cl2N2OS/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-17-10/h1-2,5,16H,3-4H2
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n/an/a 2.43E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221028
PNG
(CHEMBL87044)
Show SMILES Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C12H9F3N2OS/c13-12(14,15)7-3-1-2-4-9(7)17-11(18)10-8(16-17)5-6-19-10/h1-4,18H,5-6H2
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n/an/a>8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221027
PNG
(CHEMBL327438)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)C#N
Show InChI InChI=1S/C12H9N3OS/c13-7-8-2-1-3-9(6-8)15-12(16)11-10(14-15)4-5-17-11/h1-3,6,16H,4-5H2
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n/an/a 5.34E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221037
PNG
(CHEMBL87262)
Show SMILES Oc1c2SCCc2nn1-c1ccc(Br)cc1
Show InChI InChI=1S/C11H9BrN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
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n/an/a 3.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221023
PNG
(CHEMBL84684)
Show SMILES Oc1c2SCCc2nn1-c1ccc(cc1)C#N
Show InChI InChI=1S/C12H9N3OS/c13-7-8-1-3-9(4-2-8)15-12(16)11-10(14-15)5-6-17-11/h1-4,16H,5-6H2
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n/an/a>1.02E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50221032
PNG
(CHEMBL86526)
Show SMILES Oc1c2SCCc2nn1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H9N3O3S/c15-11-10-9(4-5-18-10)12-13(11)7-2-1-3-8(6-7)14(16)17/h1-3,6,15H,4-5H2
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n/an/a 8.73E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase


Bioorg Med Chem Lett 13: 2591-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00471-2
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119081
PNG
(MurC inhibitor (compound 20))
Show SMILES CC(CP(O)(=O)CO[C@H]1[C@H](O)[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C22H36N3O21P3/c1-9(20(32)33)7-47(35,36)8-41-18-14(23-10(2)27)21(44-11(5-26)16(18)30)45-49(39,40)46-48(37,38)42-6-12-15(29)17(31)19(43-12)25-4-3-13(28)24-22(25)34/h3-4,9,11-12,14-19,21,26,29-31H,5-8H2,1-2H3,(H,23,27)(H,32,33)(H,35,36)(H,37,38)(H,39,40)(H,24,28,34)/t9?,11-,12-,14-,15-,16-,17-,18-,19-,21?/m1/s1
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n/an/a 49n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119082
PNG
(MurC inhibitor (compound 21))
Show SMILES [O-][N+](=O)c1ccc(SCc2ccc(Cl)cc2)c(\C=C2/CC(=S)NC2=O)c1
Show InChI InChI=1S/C18H13ClN2O3S2/c19-14-3-1-11(2-4-14)10-26-16-6-5-15(21(23)24)8-12(16)7-13-9-17(25)20-18(13)22/h1-8H,9-10H2,(H,20,22,25)/b13-7+
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119083
PNG
(MurC inhibitor (compound 22))
Show SMILES Cc1ccc(s1)C(=O)NS(=O)(=O)c1ccc(cc1)-c1cc2cc(ccc2o1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4S2/c1-17-7-14-25(32-17)26(28)27-33(29,30)22-11-8-19(9-12-22)24-16-21-15-20(10-13-23(21)31-24)18-5-3-2-4-6-18/h2-16H,1H3,(H,27,28)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119084
PNG
(MurC inhibitor (compound 23))
Show SMILES CC(Oc1nc2ccccc2nc1N)c1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-11(12-7-3-2-4-8-12)20-16-15(17)18-13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H2,17,18)
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n/an/a 3.02E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC (P. mirabilis)


(Proteus mirabilis (Enterobacteria))
BDBM119084
PNG
(MurC inhibitor (compound 23))
Show SMILES CC(Oc1nc2ccccc2nc1N)c1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-11(12-7-3-2-4-8-12)20-16-15(17)18-13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H2,17,18)
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n/an/a 4.14E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC (K. pneumoniae)


(Klebsiella pneumoniae (Enterobacteria))
BDBM119084
PNG
(MurC inhibitor (compound 23))
Show SMILES CC(Oc1nc2ccccc2nc1N)c1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-11(12-7-3-2-4-8-12)20-16-15(17)18-13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H2,17,18)
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n/an/a 2.64E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119085
PNG
(MurC inhibitor (compound 24))
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H24N4O7S2/c1-15(2)12-21(24-34(30,31)19-9-5-8-18(14-19)26(28)29)22(27)23-25-35(32,33)20-11-10-16-6-3-4-7-17(16)13-20/h3-11,13-15,21,24-25H,12H2,1-2H3,(H,23,27)/t21-/m0/s1
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n/an/a 2.45E+5n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119086
PNG
(MurC/D inhibitor (compound 25) | MurD inhibitor (c...)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C24H18BrN3O3S/c25-21-7-3-6-20(14-21)24(29)27-22-11-8-17(9-12-22)16-26-28-32(30,31)23-13-10-18-4-1-2-5-19(18)15-23/h1-16,28H,(H,27,29)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119087
PNG
(MurC/D inhibitor (compound 26))
Show SMILES Oc1ccc(C=NNC(=O)c2[nH]nc3ccccc23)c(O)c1O
Show InChI InChI=1S/C15H12N4O4/c20-11-6-5-8(13(21)14(11)22)7-16-19-15(23)12-9-3-1-2-4-10(9)17-18-12/h1-7,20-22H,(H,17,18)(H,19,23)/b16-7+
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n/an/a 1.23E+5n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119088
PNG
(MurC/D inhibitor (compound 27))
Show SMILES Oc1ccc(C=NNC(=O)c2cnc(s2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H13N3O4S/c21-12-7-6-11(14(22)15(12)23)8-19-20-16(24)13-9-18-17(25-13)10-4-2-1-3-5-10/h1-9,21-23H,(H,20,24)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119122
PNG
(MurA/B/C/D/E inhibitor (compound 67))
Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H
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University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM119122
PNG
(MurA/B/C/D/E inhibitor (compound 67))
Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H
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University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM85276
PNG
(HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...)
Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1
Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)


Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123102
PNG
((1-(4-(3-cyclopropyl-1H-pyrazol-5-ylamino)-1H-pyra...)
Show SMILES OCC1CCCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2c[nH]nc2n1
Show InChI InChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24)
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n/an/a 1.00E+3n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123103
PNG
((S)-2-cyclohexyl-2-(4-(3-cyclopropyl-1H-pyrazol-5-...)
Show SMILES OC[C@@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)c2c[nH]nc2n1)C1CCCCC1
Show InChI InChI=1S/C19H26N8O/c28-10-15(11-4-2-1-3-5-11)21-19-23-17(13-9-20-27-18(13)24-19)22-16-8-14(25-26-16)12-6-7-12/h8-9,11-12,15,28H,1-7,10H2,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1
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n/an/a 50n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123104
PNG
((S)-2-cyclohexyl-2-(4-(5-isopropyl-1H-pyrazol-3-yl...)
Show SMILES CC(C)c1cc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1
Show InChI InChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m1/s1
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n/an/a 10n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123105
PNG
((S)-2-(4-(5-tert-butyl-1H-pyrazol-3-ylamino)-1H-py...)
Show SMILES CC(C)c1cc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1
Show InChI InChI=1S/C19H28N8O/c1-11(2)14-8-16(26-25-14)22-17-13-9-20-27-18(13)24-19(23-17)21-15(10-28)12-6-4-3-5-7-12/h8-9,11-12,15,28H,3-7,10H2,1-2H3,(H4,20,21,22,23,24,25,26,27)/t15-/m0/s1
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n/an/a 8n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123106
PNG
((R)-2-cyclohexyl-2-(4-(3-isopropyl-1H-pyrazol-5-yl...)
Show SMILES CC(C)(C)c1cc(Nc2nc(NC(CO)C3CCCCC3)nc3n[nH]cc23)[nH]n1
Show InChI InChI=1S/C20H30N8O/c1-20(2,3)15-9-16(27-26-15)23-17-13-10-21-28-18(13)25-19(24-17)22-14(11-29)12-7-5-4-6-8-12/h9-10,12,14,29H,4-8,11H2,1-3H3,(H4,21,22,23,24,25,26,27,28)
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n/an/a 10n/an/an/an/an/a25



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Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123107
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H32N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h10-11,13,15,30H,5-9,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1
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n/an/a 0.600n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123108
PNG
(((S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylam...)
Show SMILES Cn1nc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H32N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h10-11,13,15,30H,5-9,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m1/s1
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n/an/a 5n/an/an/an/an/a25



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Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123109
PNG
(2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-...)
Show SMILES Cn1nc(Nc2nc(NC(CO)C3CCOCC3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C20H30N8O2/c1-20(2,3)15-9-16(27-28(15)4)23-17-13-10-21-26-18(13)25-19(24-17)22-14(11-29)12-5-7-30-8-6-12/h9-10,12,14,29H,5-8,11H2,1-4H3,(H3,21,22,23,24,25,26,27)
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n/an/a 11n/an/an/an/an/a25



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Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123110
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1
Show InChI InChI=1S/C18H28N8O/c1-10(2)12(9-27)20-17-22-15(11-8-19-24-16(11)23-17)21-14-7-13(18(3,4)5)26(6)25-14/h7-8,10,12,27H,9H2,1-6H3,(H3,19,20,21,22,23,24,25)/t12-/m0/s1
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n/an/a 13n/an/an/an/an/a25



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Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123111
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123112
PNG
((S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m1/s1
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n/an/a 8n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123113
PNG
((S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cc1cc(on1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1
Show InChI InChI=1S/C19H25N9O2/c1-10-6-13(30-27-10)12(9-29)21-18-23-16(11-8-20-25-17(11)24-18)22-15-7-14(19(2,3)4)28(5)26-15/h6-8,12,29H,9H2,1-5H3,(H3,20,21,22,23,24,25,26)/t12-/m0/s1
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n/an/a 7n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123114
PNG
((1R,2S)-1-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@H]3[C@@H](O)Cc4ccccc34)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1
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n/an/a<0.5n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123115
PNG
((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccccn3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C20H25N9O/c1-20(2,3)15-9-16(28-29(15)4)24-17-12-10-22-27-18(12)26-19(25-17)23-14(11-30)13-7-5-6-8-21-13/h5-10,14,30H,11H2,1-4H3,(H3,22,23,24,25,26,27,28)/t14-/m0/s1
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n/an/a 8n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123116
PNG
((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3cccnc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C20H25N9O/c1-20(2,3)15-8-16(28-29(15)4)24-17-13-10-22-27-18(13)26-19(25-17)23-14(11-30)12-6-5-7-21-9-12/h5-10,14,30H,11H2,1-4H3,(H3,22,23,24,25,26,27,28)/t14-/m0/s1
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n/an/a 9n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
MurC (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM123117
PNG
((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1
Show InChI InChI=1S/C22H28N8O2/c1-22(2,3)17-10-18(29-30(17)4)25-19-15-11-23-28-20(15)27-21(26-19)24-16(12-31)13-6-8-14(32-5)9-7-13/h6-11,16,31H,12H2,1-5H3,(H3,23,24,25,26,27,28,29)/t16-/m0/s1
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n/an/a 4n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (50 μL) were carried out in 50 mM Tris-HCl pH 8.0, 20 mM ammonium sulfate, 2.5 mM DTT, 0.002% Brij-35, 1 mM MgCl2, 18 μM UNAM...


ACS Chem Biol 9: 2274-82 (2014)


Article DOI: 10.1021/cb500360c
BindingDB Entry DOI: 10.7270/Q2KS6Q7X
More data for this
Ligand-Target Pair
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