Reaction Details Report a problem with these data
Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50115104
Substrate
n/a
Meas. Tech.
ChEMBL_466619 (CHEMBL924793)
Ki
29.1±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:
BDBM50115104
Synonyms:
(pyridin-2-ylamino)methylenediphosphonic acid | 2-[(Bis-phosphono-methyl)-amino]-pyridinium | 2-{[hydrogen phosphonato(phosphonato)methyl]amino}pyridin-1-ium | CHEMBL291736 | [(2-pyridinylamino)methylene]-1,1-bisphosphonate | [Phosphono-(pyridin-2-ylamino)-methyl]-phosphonic acid | [Phosphono-(pyridin-2-ylamino)-methyl]-phosphonic acid(NE11807)
Type:
Small organic molecule
Emp. Form.:
C6H10N2O6P2
Mol. Mass.:
268.1009
SMILES:
OP(O)(=O)C(Nc1ccccn1)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: