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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cycloartenol synthase | ||
| Ligand | BDBM50255532 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_515551 (CHEMBL1036572) | ||
| IC50 | 440±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: |
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| BDBM50255532 | |||
| n/a | |||
| Name | BDBM50255532 | ||
| Synonyms: | CHEMBL481199 | N-(4-(5-(allyl(methyl)amino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H35F3N2O2S | ||
| Mol. Mass. | 460.596 | ||
| SMILES | CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)| | ||
| Structure | 
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