Reaction Details |
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Target | C-8 sterol isomerase ERG2 |
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Ligand | BDBM50003027 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_303390 (CHEMBL839961) |
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Ki | 0.40±n/a nM |
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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 Chem48:4754-64 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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C-8 sterol isomerase ERG2 |
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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: | MKFFPLLLLIGVVGYIMNVLFTTWLPTNYMFDPKTLNEICNSVISKHNAAEGLSTEDLLQ
DVRDALASHYGDEYINRYVKEEWVFNNAGGAMGQMIILHASVSEYLILFGTAVGTEGHTG
VHFADDYFTILHGTQIAALPYATEAEVYTPGMTHHLKKGYAKQYSMPGGSFALELAQGWI
PCMLPFGFLDTFSSTLDLYTLYRTVYLTARDMGKNLLQNKKF
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BDBM50003027 |
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n/a |
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Name | BDBM50003027 |
Synonyms: | (4aS,5S,6S,8aS)-5,8a-Dimethyl-2-(1,5,9-trimethyl-decyl)-decahydro-isoquinolin-6-ol | 5,8a-Dimethyl-2-(1,5,9-trimethyl-decyl)-decahydro-isoquinolin-6-ol | CHEMBL17470 |
Type | Small organic molecule |
Emp. Form. | C24H47NO |
Mol. Mass. | 365.6361 |
SMILES | CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 |
Structure |
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