BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSqualene monooxygenase
LigandBDBM50281968
Substrate/Competitorn/a
Meas. Tech.ChEBML_201934
IC50 13000±n/a nM
Citation Anstead, GMLin, HKPrestwich, GD Trisnorsqualene methyl hydroxylamine: a potent dual inhibitor of mammalian squalene epoxidase and oxidosqualene cyclase Bioorg Med Chem Lett3:1319-1322 (1993)    Article
More Info.:Get all data from this article,  Assay Method
 
Squalene monooxygenase
Name:Squalene monooxygenase
Synonyms:ERG1 | ERG1_HUMAN | SE | SQLE | Squalene epoxidase
Type:PROTEIN
Mol. Mass.:63936.94
Organism:Homo sapiens (Human)
Description:ChEMBL_201924
Residue:574
Sequence:
MWTFLGIATFTYFYKKFGDFITLANREVLLCVLVFLSLGLVLSYRCRHRNGGLLGRQQSG
SQFALFSDILSGLPFIGFFWAKSPPESENKEQLEARRRRKGTNISETSLIGTAACTSTSS
QNDPEVIIVGAGVLGSALAAVLSRDGRKVTVIERDLKEPDRIVGEFLQPGGYHVLKDLGL
GDTVEGLDAQVVNGYMIHDQESKSEVQIPYPLSENNQVQSGRAFHHGRFIMSLRKAAMAE
PNAKFIEGVVLQLLEEDDVVMGVQYKDKETGDIKELHAPLTVVADGLFSKFRKSLVSNKV
SVSSHFVGFLMKNAPQFKANHAELILANPSPVLIYQISSSETRVLVDIRGEMPRNLREYM
VEKIYPQIPDHLKEPFLEATDNSHLRSMPASFLPPSSVKKRGVLLLGDAYNMRHPLTGGG
MTVAFKDIKLWRKLLKGIPDLYDDAAIFEAKKSFYWARKTSHSFVVNILAQALYELFSAT
DDSLHQLRKACFLYFKLGGECVAGPVGLLSVLSPNPLVLIGHFFAVAIYAVYFCFKSEPW
ITKPRALLSSGAVLYKACSVIFPLIYSEMKYMVH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50281968
n/a
NameBDBM50281968
Synonyms:CHEMBL9533 | N-Methyl-N-((4E,12E,16E,20E)-4,8,13,17,21-pentamethyl-docosa-4,8,12,16,20-pentaenyl)-hydroxylamine
TypeSmall organic molecule
Emp. Form.C28H49NO
Mol. Mass.415.6948
SMILES[#6]-[#7](-[#8])-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: