Reaction Details Report a problem with these data
Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50098382
Substrate
n/a
Meas. Tech.
ChEMBL_466620 (CHEMBL924794)
Ki
78±n/a nM
Citation
 Dunford, JE; Kwaasi, AA; Rogers, MJ; Barnett, BL; Ebetino, FH; Russell, RG; Oppermann, U; Kavanagh, KL Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase. J Med Chem 51:2187-95 (2008) [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:
BDBM50098382
Synonyms:
(1-Hydroxy-1-phosphono-3-pyridin-3-yl-propyl)-phosphonic acid | (1-Hydroxy-1-phosphono-3-pyridin-3-yl-propyl)-phosphonic acid(NE58051,homorisedronate) | 1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyldiphosphonic acid | 3-(3-Hydroxy-3,3-bis-phosphono-propyl)-pyridinium | 3-(3-hydrogen phosphonato-3-hydroxy-3-phosphonatopropyl)pyridin-1-ium | 3-(3-pyridyl)-1-hydroxy-propane-1,1-bisphosphonate | CHEMBL293522
Type:
Small organic molecule
Emp. Form.:
C8H13NO7P2
Mol. Mass.:
297.1388
SMILES:
OC(CCc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Structure:
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