BDBM214777 TLM18
SMILES: C\C(C=C)=C/[C@@]1(C)SC(=O)C(CCCCN=[N+]=[N-])=C1O
InChI Key: InChIKey=YWCFDTCBMVZYIG-ATWMFIQVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
β-ketoacyl-ACP synthase I (C171Q KasA) (Mycobacterium tuberculosis) | BDBM214777 (TLM18) | PDB GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 3.84E+5 | n/a | n/a | n/a | n/a | n/a | n/a | 8.5 | n/a |
University of Wuerzburg | Assay Description Binding of TLM18 to wild-type and mutant KasA was quantified by monitoring changes in the intrinsic tryptophan fluorescence of the enzyme at waveleng... | J Biol Chem 288: 34190-204 (2013) Article DOI: 10.1074/jbc.M113.511436 BindingDB Entry DOI: 10.7270/Q22F7M8D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Staphylococcus aureus) | BDBM214777 (TLM18) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 1.07E+5 | n/a | n/a | n/a | n/a | n/a |
Colorado State University Curated by ChEMBL | Assay Description Binding affinity to Staphylococcus aureus wild type FabF expressed in Escherichia coli BL21 (DE3) PlysS cells by intrinsic tryptophan fluorescence qu... | J Med Chem 59: 5377-90 (2016) Article DOI: 10.1021/acs.jmedchem.6b00236 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-oxoacyl-[acyl-carrier-protein] synthase 2 (Staphylococcus aureus) | BDBM214777 (TLM18) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 1.07E+5 | n/a | n/a | n/a | n/a | n/a |
Colorado State University Curated by ChEMBL | Assay Description Binding affinity to Staphylococcus aureus wild type FabF expressed in Escherichia coli BL21 (DE3) PlysS cells by intrinsic tryptophan fluorescence qu... | J Med Chem 59: 5377-90 (2016) Article DOI: 10.1021/acs.jmedchem.6b00236 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-ketoacyl-ACP synthase (KasA) (Mycobacterium tuberculosis) | BDBM214777 (TLM18) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.12E+5 | n/a | n/a | n/a | 8.5 | n/a |
University of Wuerzburg | Assay Description Binding of TLM18 to wild-type and mutant KasA was quantified by monitoring changes in the intrinsic tryptophan fluorescence of the enzyme at waveleng... | J Biol Chem 288: 34190-204 (2013) Article DOI: 10.1074/jbc.M113.511436 BindingDB Entry DOI: 10.7270/Q22F7M8D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |