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

Data: 1 KI

PDB links: 6 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50165340   

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...) Show SMILES OC(C[n+]1cccc(F)c1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C7H10FNO7P2/c8-6-2-1-3-9(4-6)5-7(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H3-,11,12,13,14,15,16)	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)