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Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50022663
Substrate
n/a
Meas. Tech.
ChEMBL_1837788 (CHEMBL4337921)
IC50
5000±n/a nM
Citation
 Feng, Y; Park, J; Li, SG; Boutin, R; Viereck, P; Schilling, MA; Berghuis, AM; Tsantrizos, YS Chirality-Driven Mode of Binding of ?-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). J Med Chem 62:9691-9702 (2019) [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:
BDBM50022663
Synonyms:
CHEMBL3299047
Type:
Small organic molecule
Emp. Form.:
C14H14N3O3PS
Mol. Mass.:
335.318
SMILES:
Cc1ccc(cc1)-c1cc2c(NCP(O)(O)=O)ncnc2s1
Structure:
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