BDBM25401 2-(2,4-dichlorophenoxy)-5-methylphenol::Triclosan derivative, 2
SMILES: Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChI Key: InChIKey=FHTKTADYDYDEMS-UHFFFAOYSA-N
Data: 1 IC50
PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-ACP Reductase (PfENR) (Plasmodium falciparum) | BDBM25401 (2-(2,4-dichlorophenoxy)-5-methylphenol | Triclosan...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.9 | 25 |
Jacobus Pharmaceutical Company | Assay Description PfENR inhibition assays were carried out on a Cary 100 Bio Spectrophotometer or POLARstar Optima by monitoring oxidation of NADH at 340 nm. The IC50 ... | J Biol Chem 282: 25436-44 (2007) Article DOI: 10.1074/jbc.M701813200 BindingDB Entry DOI: 10.7270/Q22V2DFD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |