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Target
Squalene monooxygenase
Ligand
BDBM50018518
Substrate
n/a
Meas. Tech.
ChEMBL_201920 (CHEMBL808208)
IC50
6000±n/a nM
Citation
 Sen, SE; Prestwich, GD Squalene analogues containing isopropylidene mimics as potential inhibitors of pig liver squalene epoxidase and oxidosqualene cyclase. J Med Chem 32:2152-8 (1989) [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:
BDBM50018518
Synonyms:
((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphthalen-1-ylmethyl-amine | (6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphthalen-1-ylmethyl-amine | (6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphthalen-1-ylmethyl-amine(Terbinafine) | (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine | 1N,6,6-trimethyl-1N-(1-naphthylmethyl)-(E)-2-hepten-4-yn-1-amine | CHEMBL822 | Lamisil | Lamisil at | N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine | N-[(2E)-6,6-dimethyl-2-hepten-4-yn-1-yl]-N-methyl-1-naphthalenemethanamine | SF-86-327 | TERBINAFINE | Terbinafin | Terbinafine Hydrochloride | cid_1549008
Type:
Small organic molecule
Emp. Form.:
C21H25N
Mol. Mass.:
291.4299
SMILES:
CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: