Found 15 hits Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM119122
(MurA/B/C/D/E inhibitor (compound 67))Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM119094
(MurD/E inhibitor (compound 33))Show SMILES OC(=O)c1cc(cc(c1)-c1ccc(CC2SC(=S)N(C2=O)c2ccc3OCOc3c2)o1)C(O)=O Show InChI InChI=1S/C23H15NO8S2/c25-20-19(34-23(33)24(20)14-1-3-17-18(8-14)31-10-30-17)9-15-2-4-16(32-15)11-5-12(21(26)27)7-13(6-11)22(28)29/h1-8,19H,9-10H2,(H,26,27)(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046827
(CHEMBL3310467)Show SMILES Clc1ccc(cc1)N1C(=S)NC(=O)\C(=C\c2cc3ccccc3[nH]2)C1=O Show InChI InChI=1S/C19H12ClN3O2S/c20-12-5-7-14(8-6-12)23-18(25)15(17(24)22-19(23)26)10-13-9-11-3-1-2-4-16(11)21-13/h1-10,21H,(H,22,24,26)/b15-10- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Mycobacterium tuberculosis H37Rv) | BDBM119110
(MurE inhibitor (compound 52))Show InChI InChI=1S/C18H17NO2/c1-18-9-12-7-15-16(21-10-20-15)8-14(12)13-4-2-3-11(17(13)18)5-6-19-18/h2-4,7-8,19H,5-6,9-10H2,1H3/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Mycobacterium tuberculosis H37Rv) | BDBM50027673
(Olympicin A)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6](=O)-c1c(-[#8])cc(-[#8])cc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r| Show InChI InChI=1S/C21H30O4/c1-6-16(5)21(24)20-18(23)12-17(22)13-19(20)25-11-10-15(4)9-7-8-14(2)3/h8,10,12-13,16,22-23H,6-7,9,11H2,1-5H3/b15-10+/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Mycobacterium tuberculosis H37Rv) | BDBM119111
(MurE inhibitor (compound 53))Show SMILES [#6]-[#6](-[#6])-[#6](=O)-c1c(-[#8])cc(-[#8])cc1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C20H28O4/c1-13(2)7-6-8-15(5)9-10-24-18-12-16(21)11-17(22)19(18)20(23)14(3)4/h7,9,11-12,14,21-22H,6,8,10H2,1-5H3/b15-9- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046819
(CHEMBL3310465)Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Br)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H18BrN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046818
(CHEMBL3310464)Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM119107
(MurD/E inhibitor (compound 49))Show SMILES OC(=O)CC[C@@H](NC(=O)c1cccc(NCc2ccc(C=C3SC(S)=NC3=O)cc2)c1)C(O)=O |r,w:20.19,c:24| Show InChI InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-2-1-3-16(11-15)24-12-14-6-4-13(5-7-14)10-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046824
(CHEMBL3310458)Show SMILES Cc1cc(\C=C2\C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H18BrN3O7/c1-12-7-14(13(2)28(12)19-9-15(23(32)33)8-16(10-19)24(34)35)11-20-21(30)27-25(36)29(22(20)31)18-5-3-17(26)4-6-18/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b20-11- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046814
(CHEMBL3310462)Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(C)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O5S/c1-13-4-6-19(7-5-13)26-25-27-22(29)21(34-25)12-16-8-14(2)28(15(16)3)20-10-17(23(30)31)9-18(11-20)24(32)33/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046817
(CHEMBL3310463)Show SMILES COc1ccc(cc1)\N=C1/NC(=O)\C(S1)=C/c1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H21N3O6S/c1-13-8-15(14(2)28(13)19-10-16(23(30)31)9-17(11-19)24(32)33)12-21-22(29)27-25(35-21)26-18-4-6-20(34-3)7-5-18/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046823
(CHEMBL3310457)Show SMILES Cc1cc(\C=C2\C(=O)NC(=S)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H18FN3O6S/c1-12-7-14(13(2)28(12)17-9-15(23(32)33)8-16(10-17)24(34)35)11-18-21(30)27-25(36)29(22(18)31)20-6-4-3-5-19(20)26/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b18-11- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046822
(CHEMBL3310456)Show SMILES CCc1ccc(cc1)N1C(=O)NC(=O)\C(=C\c2cc(C)n(c2C)-c2cc(cc(c2)C(O)=O)C(O)=O)C1=O Show InChI InChI=1S/C27H23N3O7/c1-4-16-5-7-20(8-6-16)30-24(32)22(23(31)28-27(30)37)13-17-9-14(2)29(15(17)3)21-11-18(25(33)34)10-19(12-21)26(35)36/h5-13H,4H2,1-3H3,(H,33,34)(H,35,36)(H,28,31,37)/b22-13- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
(Escherichia coli UMNK88 (Enterobacteria)) | BDBM50046815
(CHEMBL3310461)Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccccc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C24H19N3O5S/c1-13-8-15(12-20-21(28)26-24(33-20)25-18-6-4-3-5-7-18)14(2)27(13)19-10-16(22(29)30)9-17(11-19)23(31)32/h3-12H,1-2H3,(H,29,30)(H,31,32)(H,25,26,28)/b20-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurE after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
Search and Browse
