Reaction Details | |||
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Target | Sterol 14-alpha demethylase | ||
Ligand | BDBM29342 | ||
Substrate/Competitor | BDBM10852 | ||
Meas. Tech. | Spectral Titration of TCCYP51 | ||
pH | 7.4±n/a | ||
Temperature | 297.15±n/a K | ||
Kd | 240±10 nM | ||
Citation | Konkle, ME; Hargrove, TY; Kleshchenko, YY; von Kries, JP; Ridenour, W; Uddin, MJ; Caprioli, RM; Marnett, LJ; Nes, WD; Villalta, F; Waterman, MR; Lepesheva, GI Indomethacin amides as a novel molecular scaffold for targeting Trypanosoma cruzi sterol 14alpha-demethylase. J Med Chem52:2846-53 (2009) [PubMed] Article | ||
More Info.: | Get all data from this article, Solution Info, 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: |
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BDBM29342 | |||
BDBM10852 | |||
Name | BDBM29342 | ||
Synonyms: | ChemDiv C155-0123, 9 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H28N4O2 | ||
Mol. Mass. | 404.5047 | ||
SMILES | CC1CCC(CC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |(6.19,11.83,;4.86,11.06,;3.53,11.83,;2.19,11.06,;2.19,9.52,;3.53,8.75,;4.86,9.52,;.86,8.75,;-.47,9.52,;.86,7.21,;-.47,6.44,;-1.81,7.21,;-3.14,6.44,;-3.62,4.98,;-5.16,4.98,;-5.63,6.44,;-7.04,7.07,;-7.2,8.6,;-5.96,9.5,;-4.55,8.88,;-4.39,7.35,;-.47,4.9,;.86,4.13,;-1.81,4.13,;-1.81,2.59,;-3.14,1.82,;-3.14,.28,;-1.81,-.49,;-.47,.28,;-.47,1.82,)| | ||
Structure |