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Target
Squalene monooxygenase
Ligand
BDBM50070348
Substrate
n/a
Meas. Tech.
ChEBML_201940
IC50
290±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:
BDBM50070348
Synonyms:
((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-{3-[3-(thiophene-2-sulfonyl)-propoxy]-benzyl}-amine | CHEMBL26723
Type:
Small organic molecule
Emp. Form.:
C25H33NO3S2
Mol. Mass.:
459.664
SMILES:
CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCCS(=O)(=O)c2cccs2)c1
Structure:
Search PDB for entries with ligand similarity: