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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Lanosterol synthase ERG7 | ||
| Ligand | BDBM50255533 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_515548 (CHEMBL1036569) | ||
| IC50 | 3600±n/a nM | ||
| Citation |  Balliano, G; Dehmlow, H; Oliaro-Bosso, S; Scaldaferri, M; Taramino, S; Viola, F; Caron, G; Aebi, J; Ackermann, J Oxidosqualene cyclase from Saccharomyces cerevisiae, Trypanosoma cruzi, Pneumocystis carinii and Arabidopsis thaliana expressed in yeast: a model for the development of novel antiparasitic agents. Bioorg Med Chem Lett19:718-23 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Lanosterol synthase ERG7 | |||
| Name: | Lanosterol synthase ERG7 | ||
| Synonyms: | ERG7 | ERG7_YEAST | Lanosterol synthase | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 83460.43 | ||
| Organism: | Saccharomyces cerevisiae | ||
| Description: | ChEMBL_956105 | ||
| Residue: | 731 | ||
| Sequence: |
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| BDBM50255533 | |||
| n/a | |||
| Name | BDBM50255533 | ||
| Synonyms: | CHEMBL481200 | N-(4-(5-(diethylamino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H37F3N2O2S | ||
| Mol. Mass. | 462.612 | ||
| SMILES | CCN(CC)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:13.16,wD:10.9,(1.63,-6.03,;.29,-6.8,;.29,-8.34,;-1.04,-9.11,;-2.37,-8.34,;1.63,-9.11,;2.95,-8.34,;4.28,-9.11,;5.62,-8.34,;6.95,-9.11,;8.28,-8.34,;9.62,-9.11,;10.95,-8.34,;10.94,-6.79,;9.61,-6.03,;8.28,-6.8,;12.27,-6.03,;12.27,-4.49,;13.6,-6.79,;14.93,-7.56,;12.84,-8.12,;14.36,-5.45,;13.56,-4.14,;14.29,-2.78,;15.84,-2.74,;16.63,-4.05,;15.9,-5.41,;16.57,-1.4,;17.3,-.05,;17.92,-2.13,;15.23,-.66,)| | ||
| Structure | 
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