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Target
Farnesyl pyrophosphate synthase
Ligand
BDBM36502
Substrate
BDBM36499
Meas. Tech.
Biophysical assay
pH
7.4±0
Temperature
296.15±0 K
IC50
>5.00e+5±n/a nM
Citation
 Jahnke, W; Rondeau, JM; Cotesta, S; Marzinzik, A; Pellé, X; Geiser, M; Strauss, A; Götte, M; Bitsch, F; Hemmig, R; Henry, C; Lehmann, S; Glickman, JF; Roddy, TP; Stout, SJ; Green, JR Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat Chem Biol 6:660-6 (2010) [PubMed]  Article 
Target
Name:
Farnesyl pyrophosphate synthase
Synonyms:
Dimethylallyltranstransferase | FDPS | FPP synthase | FPP synthetase | FPPS_HUMAN | FPS | Farnesyl diphosphate synthase | Farnesyl diphosphate synthase (FPPS) | Farnesyl diphosphate synthetase | Farnesyl pyrophosphate synthase (FPPS) | Farnesyl pyrophosphate synthetase | Geranyltranstransferase | KIAA1293 | P14324
Type:
Enzyme
Mol. Mass.:
48272.89
Organism:
Homo sapiens (Human)
Description:
P14324
Residue:
419
Sequence:
MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCWCQAWTEEPRALCSSLRMNGDQNSDVYAQEKQDFVQHFSQIVRVLTEDEMGHPEIGDAIARLKEVLEYNAIGGKYNRGLTVVVAFRELVEPRKQDADSLQRAWTVGWCVELLQAFFLVADDIMDSSLTRRGQICWYQKPGVGLDAINDANLLEACIYRLLKLYCREQPYYLNLIELFLQSSYQTEIGQTLDLLTAPQGNVDLVRFTEKRYKSIVKYKTAFYSFYLPIAAAMYMAGIDGEKEHANAKKILLEMGEFFQIQDDYLDLFGDPSVTGKIGTDIQDNKCSWLVVQCLQRATPEQYQILKENYGQKEAEKVARVKALYEELDLPAVFLQYEEDSYSHIMALIEQYAAPLPPAVFLGLARKIYKRRK
  
Inhibitor
Name:
BDBM36502
Synonyms:
2-(6-Methoxybenzofuran-3-yl)acetic acid, 3 | CID736818
Type:
Small organic molecule
Emp. Form.:
C11H10O4
Mol. Mass.:
206.1947
SMILES:
COc1ccc2c(CC(O)=O)coc2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM36499
Synonyms:
DMAPP | Dimethylallyl pyrophosphate
Type:
Substrate
Emp. Form.:
C5H9O6P2
Mol. Mass.:
227.0705
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]P([#8-])(=O)P([#8-])([#8-])=O
Structure:
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