Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50290253
Substrate
n/a
Meas. Tech.
ChEBML_201929
IC50
23300±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 
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:
BDBM50290253
Synonyms:
CHEMBL21986 | pentapotassium ({[(6E,10E,15E,19E)-2,6,10,16,20,24-hexamethyl-13-phosphonatopentacosa-2,6,10,15,19,23-hexaen-13-yl]phosphinato}methyl)phosphonate
Type:
Small organic molecule
Emp. Form.:
C32H52O8P3
Mol. Mass.:
657.6745
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])(P([#8-])([#8-])=O)P([#8-])(=O)[#6]P([#8-])([#8-])=O
Structure:
Search PDB for entries with ligand similarity: