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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Lanosterol synthase | ||
| Ligand | BDBM50255599 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_515552 (CHEMBL1036573) | ||
| IC50 | 720±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 | |||
| Name: | Lanosterol synthase | ||
| Synonyms: | 2,3-epoxysqualene--lanosterol cyclase | LSS | LSS_HUMAN | OSC | Oxidosqualene--lanosterol cyclase | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 83309.32 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_11231 | ||
| Residue: | 732 | ||
| Sequence: |
| ||
| BDBM50255599 | |||
| n/a | |||
| Name | BDBM50255599 | ||
| Synonyms: | CHEMBL481015 | N-(4-(5-(bis(2-hydroxyethyl)amino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H37F3N2O4S | ||
| Mol. Mass. | 494.611 | ||
| SMILES | CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:2.1,wD:5.5,(15.72,-4.98,;15.72,-6.52,;14.4,-7.28,;14.4,-8.82,;13.07,-9.6,;11.73,-8.82,;10.4,-9.6,;9.07,-8.82,;7.74,-9.6,;6.4,-8.82,;5.08,-9.6,;3.75,-8.82,;2.42,-9.6,;1.08,-8.82,;1.09,-7.29,;3.75,-7.29,;5.08,-6.52,;5.08,-4.99,;11.74,-7.28,;13.06,-6.52,;17.05,-7.28,;18.39,-8.05,;16.29,-8.61,;17.82,-5.94,;17.03,-4.61,;17.78,-3.26,;19.33,-3.24,;20.11,-4.56,;19.35,-5.91,;20.08,-1.91,;20.83,-.57,;21.42,-2.66,;18.75,-1.15,)| | ||
| Structure | 
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