Reaction Details | |||
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Target | Cycloartenol synthase | ||
Ligand | BDBM50255430 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_515551 (CHEMBL1036572) | ||
IC50 | 3000±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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BDBM50255430 | |||
n/a | |||
Name | BDBM50255430 | ||
Synonyms: | CHEMBL473035 | N-(4-(5-(ethyl(2-hydroxyethyl)amino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide fumarate | ||
Type | Small organic molecule | ||
Emp. Form. | C23H37F3N2O3S | ||
Mol. Mass. | 478.612 | ||
SMILES | CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:14.17,wD:11.10,(2.96,-12.19,;4.3,-12.96,;4.3,-14.5,;2.96,-15.27,;1.63,-14.5,;.3,-15.27,;5.63,-15.27,;6.96,-14.5,;8.3,-15.27,;9.63,-14.5,;10.96,-15.27,;12.3,-14.5,;13.62,-15.27,;14.95,-14.51,;14.96,-12.97,;13.63,-12.19,;12.29,-12.96,;16.3,-12.2,;16.3,-10.66,;17.63,-12.98,;18.95,-13.74,;16.86,-14.31,;18.41,-11.65,;19.95,-11.66,;20.73,-10.34,;19.97,-9,;18.42,-8.99,;17.65,-10.32,;20.74,-7.67,;21.51,-6.32,;22.08,-8.44,;19.41,-6.9,)| | ||
Structure |