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SMILES: OC(CSc1ccncc1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=WPUCYGNICODQKR-UHFFFAOYSA-N

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 2 hits for monomerid = 50098385   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Polyprenyl synthetase family protein


(Plasmodium falciparum (isolate 3D7))
BDBM50098385
PNG
(1-hydroxy-2-(pyridin-4-ylthio)ethane-1,1-diyldipho...)
Show SMILES OC(CSc1ccncc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2S/c9-7(16(10,11)12,17(13,14)15)5-18-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Leishmania major Farnesyl diphosphate synthase


J Med Chem 47: 175-87 (2003)


Article DOI: 10.1021/jm030084x
BindingDB Entry DOI: 10.7270/Q2FN15N5
More data for this
Ligand-Target Pair
Geranylgeranyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50098385
PNG
(1-hydroxy-2-(pyridin-4-ylthio)ethane-1,1-diyldipho...)
Show SMILES OC(CSc1ccncc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2S/c9-7(16(10,11)12,17(13,14)15)5-18-6-1-3-8-4-2-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.50E+5n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).


J Med Chem 45: 2185-96 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair