Reaction Details Report a problem with these data
Target
Squalene monooxygenase
Ligand
BDBM20688
Substrate
n/a
Meas. Tech.
ChEMBL_201941 (CHEMBL809128)
IC50
>10000±n/a nM
Citation
Gotteland, JP; Brunel, I; Gendre, F; Désiré, J; Delhon, A; Junquéro, D; Oms, P; Halazy, S (Aryloxy)methylsilane derivatives as new cholesterol biosynthesis inhibitors: synthesis and hypocholesterolemic activity of a new class of squalene epoxidase inhibitors. J Med Chem 38:3207-16 (1995) [PubMed] Article
More Info.:
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:
BDBM20688
Synonyms:
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid | CHEMBL1144 | Pravastatin
Type:
Small organic molecule
Emp. Form.:
C23H36O7
Mol. Mass.:
424.5277
SMILES:
[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|