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Target
Squalene epoxidase ERG1
Ligand
BDBM50170647
Substrate
n/a
Meas. Tech.
ChEMBL_2230639 (CHEMBL5144411)
IC50
317±n/a nM
Citation
 An, Y; Liu, W; Xie, H; Fan, H; Han, J; Sun, B Construction and activity evaluation of novel benzodioxane derivatives as dual-target antifungal inhibitors. Eur J Med Chem 227:0 (2022) [PubMed] 
Target
Name:
Squalene epoxidase ERG1
Synonyms:
1.14.14.17 | ERG1 | ERG1_CANAL | Ergosterol biosynthesis protein 1 | Squalene monooxygenase ERG1
Type:
PROTEIN
Mol. Mass.:
55311.14
Organism:
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)
Description:
ChEMBL_319
Residue:
496
Sequence:
MSSVKYDAIIIGAGVIGPTIATAFARQGRKVLIVERDWSKPDRIVGELMQPAGIKALRELGMIKAINNIRAVDCTGYYIKYYDETITIPYPLKKDACITNPVKPVPDAVDGVNDKLDSDSTLNVDDWDFDERVRGAAFHHGDFLMNLRQICRDEPNVTAVEATVTKILRDPSDPNTVIGVQTKQPSGTVDYHAKLTISCDGIYSKFRKELSPTNVPTIGSYFIGLYLKNAELPAKGKGHVLLGGHAPALIYSVSPTETRVLCVYVSSKPPSAANDAVYKYLRDNILPAIPKETVPAFKEALEERKFRIMPNQYLSAMKQGSENHKGFILLGDSLNMRHPLTGGGMTVGLNDSVLLAKLLHPKFVEDFDDHQLIAKRLKTFHRKRKNLDAVINTLSISLYSLFAADKKPLRILRNGCFKYFQRGGECVNGPIGLLSGMLPFPMLLFNHFFSVAFYSVYLNFIERGLLGFPLALFEAFEVLFTAIVIFTPYLWNEIVR
  
Inhibitor
Name:
BDBM50170647
Synonyms:
CHEMBL626 | Methyl-naphthalen-1-ylmethyl-((E)-3-phenyl-allyl)-amine | Methyl-naphthalen-1-ylmethyl-(3-phenyl-allyl)-amine | NAFTIFINE | Naftin
Type:
Small organic molecule
Emp. Form.:
C21H21N
Mol. Mass.:
287.3981
SMILES:
CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: