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Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50022668
Substrate
n/a
Meas. Tech.
ChEMBL_1657315 (CHEMBL4006785)
IC50
1600±n/a nM
Citation
 Park, J; Leung, CY; Matralis, AN; Lacbay, CM; Tsakos, M; Fernandez De Troconiz, G; Berghuis, AM; Tsantrizos, YS Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J Med Chem 60:2119-2134 (2017) [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:
BDBM50022668
Synonyms:
CHEMBL3299149
Type:
Small organic molecule
Emp. Form.:
C20H17ClN3O3PS
Mol. Mass.:
445.859
SMILES:
Cc1ccc(cc1Cl)-c1cc2c(NC(c3ccccc3)P(O)(O)=O)ncnc2s1
Structure:
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