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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Sterol 14-alpha demethylase | ||
| Ligand | BDBM50493556 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_984872 (CHEMBL2432695) | ||
| Kd | 6900±n/a nM | ||
| Citation |  Choi, JY; Calvet, CM; Gunatilleke, SS; Ruiz, C; Cameron, MD; McKerrow, JH; Podust, LM; Roush, WR Rational development of 4-aminopyridyl-based inhibitors targeting Trypanosoma cruzi CYP51 as anti-chagas agents. J Med Chem56:7651-68 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Sterol 14-alpha demethylase | |||
| Name: | Sterol 14-alpha demethylase | ||
| Synonyms: | CP51_TRYCC | CYP51 | Cytochrome P450 51 | Lanosterol 14-alpha demethylase | Sterol 14α-demethylase (CYP51) | Sterol 14-alpha demethylase | Sterol 14-alpha demethylase (CYP51) | Tc14DM | ||
| Type: | Protein | ||
| Mol. Mass.: | 54690.12 | ||
| Organism: | Trypanosoma cruzi | ||
| Description: | Q7Z1V1 | ||
| Residue: | 481 | ||
| Sequence: |
| ||
| BDBM50493556 | |||
| n/a | |||
| Name | BDBM50493556 | ||
| Synonyms: | CHEMBL2431528 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H27N3O2S | ||
| Mol. Mass. | 349.491 | ||
| SMILES | CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccncc1 |r,wD:4.3,(21.56,-13.12,;20.23,-13.9,;20.24,-15.43,;18.91,-16.2,;18.92,-17.74,;20.25,-18.5,;21.58,-17.73,;21.58,-16.19,;22.92,-18.49,;24.25,-17.72,;25.58,-18.49,;25.58,-20.03,;26.92,-20.8,;24.25,-20.8,;22.92,-20.03,;17.59,-18.51,;17.59,-20.05,;16.25,-17.75,;14.92,-18.52,;13.58,-17.76,;12.25,-18.53,;12.25,-20.07,;13.58,-20.85,;14.92,-20.07,)| | ||
| Structure | 
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