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Target
Squalene monooxygenase
Ligand
BDBM50070347
Substrate
n/a
Meas. Tech.
ChEBML_201940
IC50
330±n/a nM
Citation
 Gotteland, JP; Loubat, C; Planty, B; Junquéro, D; Delhon, A; Halazy, S Sulfonamide derivatives of benzylamine block cholesterol biosynthesis in HepG2 cells: a new type of potent squalene epoxidase inhibitors. Bioorg Med Chem Lett 8:1337-42 (1999) [PubMed]  Article 
Target
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:
MWTFLGIATFTYFYKKFGDFITLANREVLLCVLVFLSLGLVLSYRCRHRNGGLLGRQQSGSQFALFSDILSGLPFIGFFWAKSPPESENKEQLEARRRRKGTNISETSLIGTAACTSTSSQNDPEVIIVGAGVLGSALAAVLSRDGRKVTVIERDLKEPDRIVGEFLQPGGYHVLKDLGLGDTVEGLDAQVVNGYMIHDQESKSEVQIPYPLSENNQVQSGRAFHHGRFIMSLRKAAMAEPNAKFIEGVVLQLLEEDDVVMGVQYKDKETGDIKELHAPLTVVADGLFSKFRKSLVSNKVSVSSHFVGFLMKNAPQFKANHAELILANPSPVLIYQISSSETRVLVDIRGEMPRNLREYMVEKIYPQIPDHLKEPFLEATDNSHLRSMPASFLPPSSVKKRGVLLLGDAYNMRHPLTGGGMTVAFKDIKLWRKLLKGIPDLYDDAAIFEAKKSFYWARKTSHSFVVNILAQALYELFSATDDSLHQLRKACFLYFKLGGECVAGPVGLLSVLSPNPLVLIGHFFAVAIYAVYFCFKSEPWITKPRALLSSGAVLYKACSVIFPLIYSEMKYMVH
  
Inhibitor
Name:
BDBM50070347
Synonyms:
4-Bromo-N-[2-(3-{[((E)-6,6-dimethyl-hept-2-en-4-ynyl)-ethyl-amino]-methyl}-phenoxy)-ethyl]-N-methyl-benzenesulfonamide | CHEMBL27365
Type:
Small organic molecule
Emp. Form.:
C27H35BrN2O3S
Mol. Mass.:
547.547
SMILES:
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(Br)cc2)c1
Structure:
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