Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50290250
Substrate
n/a
Meas. Tech.
ChEBML_201929
IC50
>50000±n/a nM
Citation
Overhand, M; Pieterman, E; Cohen, LH; Valentijn, AR; Marel, GA; van Boom, JH Synthesis of triphosphonate analogues of farnesyl pyrophosphate. Inhibitors of squalene synthase and protein:farnesyl transferase Bioorg Med Chem Lett 7:2435-2440 (1997) Article
More Info.:
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:
BDBM50290250
Synonyms:
CHEMBL81657 | tripotassium 2,4,6-trioxo-3,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1,2,4,6-oxatriphosphinane-2,4,6-tris(olate)
Type:
Small organic molecule
Emp. Form.:
C32H52O7P3
Mol. Mass.:
641.674
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C1([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])P([#8-])(=O)[#8]P([#8-])(=O)[#6]=P1([#8])[#8-]