Found 3 hits Enz. Inhib. hit(s) with Target = 'MurE (M. tuberculosis)' 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
(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 | |