BDBM26455 (2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphthalene-2-}sulfonamido)pentanedioic acid::MurD inhibitor (compound 40)::naphthalene-N-sulfonyl-D-glu derivative, 17n
SMILES: OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O
InChI Key: InChIKey=IRJUSGUHNFMVCK-OAQYLSRUSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12)) | BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | 8.6 | 37 |
Lek Pharmaceuticals d.d. | Assay Description The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re... | J Med Chem 51: 7486-94 (2008) Article DOI: 10.1021/jm800762u BindingDB Entry DOI: 10.7270/Q2B27SMN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12)) | BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 8.50E+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 | 3D Structure (crystal) | ||||||||||||
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12)) | BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a |
Slovenia National Institute of Chemistry Curated by ChEMBL | Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 56 by 1H/13C-HSQC 2D NMR spectroscopy | Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12)) | BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a |
Slovenia National Institute of Chemistry Curated by ChEMBL | Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 13 by 1H/13C-HSQC 2D NMR spectroscopy | Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12)) | BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
Slovenia National Institute of Chemistry Curated by ChEMBL | Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 9 by 1H/13C-HSQC 2D NMR spectroscopy | Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |