BDBM8435 3-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid::BI-MFM3::Rhodanine analogue
SMILES: OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
InChI Key: InChIKey=YZLFZFALAZYTCI-ZROIWOOFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Anthrax Lethal Factor (LF) (Bacillus anthracis) | BDBM8435 (3-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylide...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | 800 | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Institute for Medical Research | Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t... | Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |