BDBM50165340 BPH-461::CHEMBL193722::hydrogen 2-(3-fluoropyridinium-1-yl)-1-hydroxy-1-phosphonoethylphosphonate
SMILES: OC(C[n+]1cccc(F)c1)(P(O)(O)=O)P(O)([O-])=O
InChI Key: InChIKey=LSEAIOLITUIQJU-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7)) | BDBM50165340 (BPH-461 | CHEMBL193722 | hydrogen 2-(3-fluoropyrid...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major | J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |