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Target
Squalene synthase
Ligand
BDBM50283083
Substrate
n/a
Meas. Tech.
ChEBML_202108
IC50
8000±n/a nM
Citation
 Shaw, RE; Burgess, C; Cousins, RP; Giblin, GM; Livermore, DG; Shingler, AH; Smith, C; Youds, PM Synthesis of novel monocyclic squalestatin analogues as potential inhibitors of squalene synthase Bioorg Med Chem Lett 4:2155-2160 (1994)    Article 
Target
Name:
Squalene synthase
Synonyms:
FDFT_RAT | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | Fdft1 | SQS | SS | Squalene synthetase
Type:
PROTEIN
Mol. Mass.:
48109.41
Organism:
Rattus norvegicus
Description:
ChEMBL_1336736
Residue:
416
Sequence:
MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH
  
Inhibitor
Name:
BDBM50283083
Synonyms:
2-(4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-5-hydroxy-[1,3]dioxane-4,5,6-tricarboxylic acid | CHEMBL67533
Type:
Small organic molecule
Emp. Form.:
C23H28O11
Mol. Mass.:
480.4618
SMILES:
CC(Cc1ccccc1)C(OC(C)=O)C(=C)CCC1OC(C(O)=O)C(O)(C(O1)C(O)=O)C(O)=O |(12.98,-2.74,;12.98,-4.29,;14.32,-5.06,;15.65,-4.29,;15.65,-2.74,;16.98,-1.97,;18.32,-2.74,;18.32,-4.29,;16.98,-5.06,;11.65,-5.06,;11.65,-6.6,;10.32,-7.37,;10.32,-8.92,;8.99,-6.6,;10.32,-4.3,;10.32,-2.76,;8.99,-5.07,;7.72,-4.36,;6.46,-5.08,;5.15,-5.46,;3.52,-4.82,;2.98,-3.37,;1.46,-3.09,;3.98,-2.18,;2.74,-6.18,;2.74,-7.72,;3.94,-5.76,;5.64,-6.37,;4.33,-7.26,;5.81,-7.65,;3.44,-8.47,;1.25,-5.78,;.48,-4.43,;.85,-7.26,)|
Structure:
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