Reaction Details
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3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
Ligand
BDBM50018518
Substrate
n/a
Meas. Tech.
ChEMBL_303691 (CHEMBL829736)
Ki
>50000±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 More Info.:
Target
Name:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
Synonyms:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/Delta(24)-sterol reductase | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase | Anti-estrogen binding site (AEBS) | Cholestenol Delta-isomerase | D8-D7 sterol isomerase | Delta(8)-Delta(7) sterol isomerase | EBP | EBP_HUMAN | Emopamil-binding protein
Type:
PROTEIN
Mol. Mass.:
26358.51
Organism:
Homo sapiens (Human)
Description:
ChEMBL_873432
Residue:
230
Sequence:
MTTNAGPLHPYWPQHLRLDNFVPNDRPTWHILAGLFSVTGVLVVTTWLLSGRAAVVPLGTWRRLSLCWFAVCGFIHLVIEGWFVLYYEDLLGDQAFLSQLWKEYAKGDSRYILGDNFTVCMETITACLWGPLSLWVVIAFLRQHPLRFILQLVVSVGQIYGDVLYFLTEHRDGFQHGELGHPLYFWFYFVFMNALWLVLPGVLVLDAVKHLTHAQSTLDAKATKAKSKKN
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:
