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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cycloartenol synthase | ||
| Ligand | BDBM50255601 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_515551 (CHEMBL1036572) | ||
| IC50 | 4100±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 | ||
| Cycloartenol synthase | |||
| Name: | Cycloartenol synthase | ||
| Synonyms: | CAS1 | CAS1_ARATH | CYC | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 86025.20 | ||
| Organism: | Arabidopsis thaliana | ||
| Description: | ChEMBL_956102 | ||
| Residue: | 759 | ||
| Sequence: |
| ||
| BDBM50255601 | |||
| n/a | |||
| Name | BDBM50255601 | ||
| Synonyms: | CHEMBL481209 | N-(4-(5-(diethylamino)-5-methylhexyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H41F3N2O2S | ||
| Mol. Mass. | 490.665 | ||
| SMILES | CCN(CC)C(C)(C)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:15.18,wD:12.11,(4.85,-12.48,;3.51,-13.24,;3.51,-14.78,;2.18,-15.55,;.85,-14.78,;4.85,-15.55,;4.07,-16.87,;5.61,-16.87,;6.17,-14.78,;7.5,-15.55,;8.84,-14.78,;10.17,-15.55,;11.5,-14.78,;12.84,-15.55,;14.17,-14.78,;14.17,-13.23,;12.83,-12.47,;11.5,-13.24,;15.49,-12.47,;15.49,-10.93,;16.82,-13.23,;18.15,-14.01,;16.06,-14.57,;17.59,-11.9,;16.81,-10.57,;17.57,-9.22,;19.12,-9.22,;19.89,-10.55,;19.12,-11.89,;19.89,-7.89,;20.65,-6.57,;21.22,-8.66,;18.56,-7.13,)| | ||
| Structure | 
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