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Target
C-8 sterol isomerase ERG2
Ligand
BDBM50170658
Substrate
n/a
Meas. Tech.
ChEMBL_303390 (CHEMBL839961)
Ki
387±n/a nM
Citation
 Laggner, C; Schieferer, C; Fiechtner, B; Poles, G; Hoffmann, RD; Glossmann, H; Langer, T; Moebius, FF Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. J Med Chem 48:4754-64 (2005) [PubMed]  Article 
Target
Name:
C-8 sterol isomerase ERG2
Synonyms:
C-8 sterol isomerase | Delta-8--delta-7 sterol isomerase | ERG2 | ERG2_YEAST
Type:
PROTEIN
Mol. Mass.:
24892.29
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_303390
Residue:
222
Sequence:
MKFFPLLLLIGVVGYIMNVLFTTWLPTNYMFDPKTLNEICNSVISKHNAAEGLSTEDLLQDVRDALASHYGDEYINRYVKEEWVFNNAGGAMGQMIILHASVSEYLILFGTAVGTEGHTGVHFADDYFTILHGTQIAALPYATEAEVYTPGMTHHLKKGYAKQYSMPGGSFALELAQGWIPCMLPFGFLDTFSSTLDLYTLYRTVYLTARDMGKNLLQNKKF
  
Inhibitor
Name:
BDBM50170658
Synonyms:
4a,5',6a,7-tetramethyl-(2S,4aS,4bS,6aS,6bR,7S,8'S,9aS,10aS,10bR,12aS)-spiro[perhydronaphtho[2',1':4,5]indeno[2,1-b]furan-8,2'-(4'H,5'H,6'H-pyridine)]-2-ol | CHEMBL365417
Type:
Small organic molecule
Emp. Form.:
C27H45NO2
Mol. Mass.:
415.6517
SMILES:
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CCC(C)CN1
Structure:
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