Reaction Details Report a problem with these data
Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50138041
Substrate
n/a
Meas. Tech.
ChEMBL_194806 (CHEMBL799889)
IC50
4.0±n/a nM
Citation
 Kotsikorou, E; Oldfield, E A quantitative structure-activity relationship and pharmacophore modeling investigation of aryl-X and heterocyclic bisphosphonates as bone resorption agents. J Med Chem 46:2932-44 (2003) [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:
BDBM50138041
Synonyms:
1-hydroxy-3-(methyl(2-phenoxyethyl)amino)propane-1,1-diyldiphosphonic acid | CHEMBL53982 | [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]propylidene-1,1-bisphosphonate | {1-hydroxy-3-[methyl-(2-phenoxy-ethyl)-amino]-1-phosphono-propyl}-phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C12H21NO8P2
Mol. Mass.:
369.2446
SMILES:
CN(CCOc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Structure:
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