BDBM50162319 2-(4-(4-(2-(3-chloro-4-methylphenylamino)pyrimidin-4-yl)pyridin-2-yl)piperazin-1-yl)ethanaminium::2-(4-{4-[2-(3-Chloro-4-methyl-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-piperazin-1-yl)-ethyl-ammonium
SMILES: Cc1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCN(CC[NH3+])CC2)cc1Cl
InChI Key: InChIKey=RHOOHUMOHVIXEF-UHFFFAOYSA-O
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cell division protein zipA (Escherichia coli (strain K12)) | BDBM50162319 (2-(4-(4-(2-(3-chloro-4-methylphenylamino)pyrimidin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco Curated by ChEMBL | Assay Description Binding affinity to Escherichia coli ZipA assessed as inhibition of ZipA-FtsZ derived peptide interaction | Nature 450: 1001-1009 (2007) Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cell division protein zipA (Escherichia coli (strain K12)) | BDBM50162319 (2-(4-(4-(2-(3-chloro-4-methylphenylamino)pyrimidin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Affinity for ZipA bacterial protein | J Med Chem 48: 1489-95 (2005) Article DOI: 10.1021/jm040163o BindingDB Entry DOI: 10.7270/Q2K64JV9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |