Reaction Details Report a problem with these data
Target
Squalene monooxygenase
Ligand
BDBM50286539
Substrate
n/a
Meas. Tech.
ChEBML_201947
IC50
1000±n/a nM
Citation
 Denner-Ancona, P; Bai, M; Lee, HK; Abe, I; Prestwich, GD Purification of pig and rat liver squalene epoxidase by affinity chromatography Bioorg Med Chem Lett 5:481-486 (1995)    Article 
Target
Name:
Squalene monooxygenase
Synonyms:
ERG1_RAT | Erg1 | SE | Sqle
Type:
PROTEIN
Mol. Mass.:
64038.00
Organism:
Rattus norvegicus
Description:
ChEMBL_505339
Residue:
573
Sequence:
MWTFLGIATFTYFYKKCGDVTLANKELLLCVLVFLSLGLVLSYRCRHRNGGLLGRHQSGSQFAAFSDILSALPLIGFFWAKSPPESEKKEQLESKRRRKEVNLSETTLTGAATSVSTSSVTDPEVIIIGSGVLGSALATVLSRDGRTVTVIERDLKEPDRILGECLQPGGYRVLRELGLGDTVESLNAHHIHGYVIHDCESRSEVQIPYPVSENNQVQSGVAFHHGKFIMSLRKAAMAEPNVKFIEGVVLRLLEEDDAVIGVQYKDKETGDTKELHAPLTVVADGLFSKFRKNLISNKVSVSSHFVGFIMKDAPQFKANFAELVLVDPSPVLIYQISPSETRVLVDIRGELPRNLREYMTEQIYPQIPDHLKESFLEACQNARLRTMPASFLPPSSVNKRGVLLLGDAYNLRHPLTGGGMTVALKDIKIWRQLLKDIPDLYDDAAIFQAKKSFFWSRKRSHSFVVNVLAQALYELFSATDDSLRQLRKACFLYFKLGGECLTGPVGLLSILSPDPLLLIRHFFSVAVYATYFCFKSEPWATKPRALFSSGAILYKACSIIFPLIYSEMKYLVH
  
Inhibitor
Name:
BDBM50286539
Synonyms:
1N-(6-aminohexyl)-4,8,13,17,20N-pentamethyl-(4E,8E,12E,16E)-4,8,12,16-icosatetraene-1,20-diamine | CHEMBL144948
Type:
Small organic molecule
Emp. Form.:
C31H59N3
Mol. Mass.:
473.8203
SMILES:
CNCCC\C(C)=C\CCC(C)=CCC\C=C(/C)CC\C=C(/C)CCCNCCCCCCN
Structure:
Search PDB for entries with ligand similarity: