Reaction Details Report a problem with these data
Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50098380
Substrate
n/a
Meas. Tech.
ChEMBL_466620 (CHEMBL924794)
Ki
48.2±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:
BDBM50098380
Synonyms:
(5-Amino-1-hydroxy-1-phosphono-pentyl)-phosphonic acid | 5-Hydroxy-5,5-bis-phosphono-pentyl-ammonium | 5-amino-1-hydroxypentane-1,1-diyldiphosphonic acid | 5-aminopentane-1-hydroxy-1,1-bisphosphonate | CHEMBL298771
Type:
Small organic molecule
Emp. Form.:
C5H15NO7P2
Mol. Mass.:
263.1226
SMILES:
NCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: