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Target
Squalene synthase
Ligand
BDBM50283082
Substrate
n/a
Meas. Tech.
ChEBML_201957
IC50
430±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:
FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase
Type:
PROTEIN
Mol. Mass.:
48114.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1352847
Residue:
417
Sequence:
MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
  
Inhibitor
Name:
BDBM50283082
Synonyms:
1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4-hydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | CHEMBL308420
Type:
Small organic molecule
Emp. Form.:
C25H30O11
Mol. Mass.:
506.4991
SMILES:
C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CCC12CCC(O1)(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Structure:
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