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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cycloartenol synthase | ||
| Ligand | BDBM50255531 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_515551 (CHEMBL1036572) | ||
| IC50 | 700±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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| BDBM50255531 | |||
| n/a | |||
| Name | BDBM50255531 | ||
| Synonyms: | 4-chlorophenyl 4-(5-(ethyl(2-hydroxyethyl)amino)pentyl)cyclohexyl(methyl)carbamate hydrochloride | CHEMBL480259 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H37ClN2O3 | ||
| Mol. Mass. | 425.004 | ||
| SMILES | CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1 |r,wU:14.17,wD:11.10,(19.37,-12.82,;18.05,-13.6,;18.08,-15.14,;16.75,-15.92,;15.41,-15.17,;14.08,-15.96,;19.42,-15.89,;20.74,-15.09,;22.1,-15.85,;23.42,-15.06,;24.77,-15.83,;26.11,-15.04,;27.44,-15.8,;28.77,-15.03,;28.77,-13.49,;27.44,-12.73,;26.11,-13.5,;30.11,-12.71,;30.1,-11.17,;31.45,-13.48,;31.47,-15.01,;32.78,-12.71,;32.78,-11.17,;34.11,-10.4,;34.12,-8.85,;32.78,-8.09,;32.78,-6.55,;31.46,-8.86,;31.46,-10.4,)| | ||
| Structure | 
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