Reaction Details | |||
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Target | Lanosterol synthase | ||
Ligand | BDBM50128049 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_148897 (CHEMBL754981) | ||
IC50 | 640±n/a nM | ||
Citation | Lenhart, A; Reinert, DJ; Aebi, JD; Dehmlow, H; Morand, OH; Schulz, GE Binding structures and potencies of oxidosqualene cyclase inhibitors with the homologous squalene-hopene cyclase. J Med Chem46:2083-92 (2003) [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: |
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BDBM50128049 | |||
n/a | |||
Name | BDBM50128049 | ||
Synonyms: | CHEMBL291640 | Methyl-{4-[4-(1-oxy-piperidin-1-ylmethyl)-phenyl]-cyclohexyl}-carbamic acid 4-chloro-phenyl ester | ||
Type | Small organic molecule | ||
Emp. Form. | C26H33ClN2O3 | ||
Mol. Mass. | 457.005 | ||
SMILES | CN([C@H]1CC[C@@H](CC1)c1ccc(C[N+]2([O-])CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1 |wU:2.1,wD:5.8,(5.79,.97,;5.79,-.57,;4.45,-1.34,;4.45,-2.88,;3.12,-3.65,;1.78,-2.88,;1.78,-1.34,;3.12,-.57,;.44,-3.65,;-.88,-2.86,;-2.22,-3.63,;-2.24,-5.17,;-3.57,-5.94,;-4.9,-5.16,;-4.91,-6.71,;-4.9,-3.63,;-6.22,-2.86,;-7.56,-3.61,;-7.56,-5.16,;-6.23,-5.94,;-.88,-5.94,;.45,-5.17,;7.13,-1.34,;7.13,-2.88,;8.47,-.57,;9.8,-1.34,;11.13,-.57,;12.46,-1.34,;12.46,-2.88,;13.81,-3.65,;11.13,-3.65,;9.8,-2.88,)| | ||
Structure |