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Target
Farnesyl pyrophosphate synthase
Ligand
BDBM50585613
Substrate
n/a
Meas. Tech.
ChEMBL_2163505 (CHEMBL5048366)
IC50
460±n/a nM
Citation
 Lee, HF; Lacbay, CM; Boutin, R; Matralis, AN; Park, J; Waller, DD; Guan, TL; Sebag, M; Tsantrizos, YS Synthesis and Evaluation of Structurally Diverse C-2-Substituted Thienopyrimidine-Based Inhibitors of the Human Geranylgeranyl Pyrophosphate Synthase. J Med Chem 65:2471-2496 (2022) [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:
BDBM50585613
Synonyms:
CHEMBL5088349
Type:
Small organic molecule
Emp. Form.:
C25H27FN4O9P2S
Mol. Mass.:
640.514
SMILES:
COc1ccc(cc1F)[C@H](OC(C)C)C(=O)Nc1cccc(c1)-c1nc(NC(P(O)(O)=O)P(O)(O)=O)c2ccsc2n1 |r|
Structure:
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