Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50098390
Substrate
n/a
Meas. Tech.
ChEMBL_466620 (CHEMBL924794)
Ki
1.09±n/a nM
Citation
 Dunford, JEKwaasi, AARogers, MJBarnett, BLEbetino, FHRussell, RGOppermann, UKavanagh, 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:
BDBM50098390
Synonyms:
(3-methylpyridin-2-ylamino)methylenediphosphonic acid | 2-[(Bis-phosphono-methyl)-amino]-3-methyl-pyridinium | 2-{[hydrogen phosphonato(phosphonato)methyl]amino}-3-methylpyridin-1-ium | CHEMBL55140 | [(3-Methyl-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid(NE97200) | [(3-methyl-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C7H12N2O6P2
Mol. Mass.:
282.1275
SMILES:
Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: