Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Lanosterol synthase | ||
| Ligand | BDBM50394834 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_860118 (CHEMBL2168444) | ||
| IC50 | 12.7±n/a nM | ||
| Citation |  Staedler, D; Chapuis-Bernasconi, C; Dehmlow, H; Fischer, H; Juillerat-Jeanneret, L; Aebi, JD Cytotoxic effects of combination of oxidosqualene cyclase inhibitors with atorvastatin in human cancer cells. J Med Chem55:4990-5002 (2012) [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: |
| ||
| BDBM50394834 | |||
| n/a | |||
| Name | BDBM50394834 | ||
| Synonyms: | CHEMBL2164236 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H33F3N2O3 | ||
| Mol. Mass. | 430.5042 | ||
| SMILES | CCN(CCO)C[C@H]1CC[C@H](CCN(C)C(=O)Oc2ccc(cc2)C(F)(F)F)CC1 |r,wU:7.6,wD:10.10,(3.56,-33.3,;4.88,-34.07,;4.87,-35.61,;3.54,-36.38,;2.21,-35.6,;.87,-36.36,;6.2,-36.4,;7.54,-35.63,;7.55,-34.09,;8.88,-33.34,;10.2,-34.11,;11.54,-33.35,;12.87,-34.12,;14.21,-33.36,;14.21,-31.82,;15.53,-34.13,;15.53,-35.67,;16.87,-33.37,;18.2,-34.13,;18.19,-35.68,;19.52,-36.45,;20.86,-35.68,;20.86,-34.14,;19.53,-33.37,;22.19,-36.46,;23.53,-35.69,;22.19,-38,;23.52,-37.22,;10.21,-35.65,;8.87,-36.41,)| | ||
| Structure | 
| ||