Reaction Details Report a problem with these data
Target
Squalene monooxygenase
Ligand
BDBM50093879
Substrate
n/a
Meas. Tech.
ChEBML_201944
IC50
11900±n/a nM
Citation
 Abe, I; Kashiwagi, Y; Noguchi, H Inhibition of vertebrate squalene epoxidase by isoprenyl gallates and phenylalkyl gallates. Bioorg Med Chem Lett 10:2525-8 (2001) [PubMed]  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:
BDBM50093879
Synonyms:
3,4,5-Trihydroxy-benzoic acid 6-phenyl-hexyl ester | CHEMBL83943
Type:
Small organic molecule
Emp. Form.:
C19H22O5
Mol. Mass.:
330.375
SMILES:
Oc1cc(cc(O)c1O)C(=O)OCCCCCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: