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Target
Squalene monooxygenase
Ligand
BDBM50093880
Substrate
n/a
Meas. Tech.
ChEBML_201944
IC50
1500±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]
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:
BDBM50093880
Synonyms:
3,4,5-Trihydroxy-benzoic acid (2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl ester | CHEMBL85001
Type:
Small organic molecule
Emp. Form.:
C22H30O5
Mol. Mass.:
374.4706
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6](=O)-c1cc(-[#8])c(-[#8])c(-[#8])c1
Structure:
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