Reaction Details Report a problem with these data
Target
Farnesyl pyrophosphate synthase
Ligand
BDBM97432
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±0
Temperature
298.15±0 K
IC50
2.5e+3±n/a nM
Citation
 Lindert, S; Zhu, W; Liu, YL; Pang, R; Oldfield, E; McCammon, JA Farnesyl diphosphate synthase inhibitors from in silico screening. Chem Biol Drug Des 81:742-8 (2013) [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:
BDBM97432
Synonyms:
66761, 16
Type:
Small molecule
Emp. Form.:
C28H29N7O2
Mol. Mass.:
495.5756
SMILES:
CC1CNC(=N1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(cc3)C3=NC(C)CN3)c(N)c2)cc1 |c:4,t:28|
Structure:
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