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SMILES NCCC(O)(P(O)(O)=O)P(O)(O)=O

InChI Key InChIKey=WRUUGTRCQOWXEG-UHFFFAOYSA-N

PDB links: 9 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 12581   

TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12581((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataKi:  55.9nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 minsMore data for this Ligand-Target Pair
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12581((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataKi:  180nMAssay Description:Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligandMore data for this Ligand-Target Pair
TargetPolyprenyl synthetase family protein(Plasmodium falciparum (isolate 3D7))
University of Illinois at Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM12581((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataKi:  190nMAssay Description:Binding affinity towards Farnesyl diphosphate synthase from leishmania majorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z89D7KPubMed
TargetFarnesyl pyrophosphate synthase(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM12581((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataKi:  331nMAssay Description:Inhibition of human recombinant FPPS expressed in Escherichia coli BL21More data for this Ligand-Target Pair
TargetHypoxanthine-guanine phosphoribosyltransferase(Trypanosoma brucei brucei)
Universidad de Buenos Aires

Curated by ChEMBL
LigandPNGBDBM12581((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...)copy SMILEScopy InChI
Affinity DataKi:  5.06E+4nMAssay Description:Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5GDXPubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 12581   

CellFarnesyl Diphosphate Synthase (FPPS)(Trypanosoma brucei)
University of Illinois at Urbana-Champaign

SyringePNGBDBM12581((3-amino-1-hydroxy-1-phosphonopropyl)phosphonic ac...)
ITC DataΔG°: -8.84kcal/mole −TΔS°: -9.35kcal/mole ΔH°: 0.479kcal/mole logk: 3.12E+6
pH: 7.4 T: 26.85°C