Reaction Details |
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Target | Sterol 14-alpha demethylase |
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Ligand | BDBM29344 |
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Substrate/Competitor | BDBM10852 |
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Meas. Tech. | Spectral Titration of TCCYP51 |
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pH | 7.4±n/a |
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Temperature | 297.15±n/a K |
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Kd | 540±20 nM |
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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 |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Sterol 14-alpha demethylase |
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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: | MFIEAIVLALTALILYSVYSVKSFNTTRPTDPPVYPVTVPFLGHIVQFGKNPLEFMQRCK
RDLKSGVFTISIGGQRVTIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPY
PRMREQLNFLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINTAC
QCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSARCREARAELQKIL
GEIIVAREKEEASKDNNTSDLLGGLLKAVYRDGTRMSLHEVCGMIVAAMFAGQHTSTITT
SWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVMDEMPFAERCVRESIRRDPPLLMVM
RMVKAEVKVGSYVVPKGDIIACSPLLSHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVH
KCIGQKFALLQVKTILATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKKLP
S
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BDBM29344 |
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BDBM10852 |
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Name | BDBM29344 |
Synonyms: | Indomethacin-amide derivative, 14 |
Type | Small organic molecule |
Emp. Form. | C25H22ClN3O3 |
Mol. Mass. | 447.913 |
SMILES | COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccncc3)c2c1 |
Structure |
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