Reaction Details |
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Target | Sterol 14-alpha demethylase |
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Ligand | BDBM50493524 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_984872 (CHEMBL2432695) |
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Kd | 12±n/a nM |
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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 |
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More Info.: | Get all data from this article, 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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BDBM50493524 |
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n/a |
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Name | BDBM50493524 |
Synonyms: | CHEMBL2431646 |
Type | Small organic molecule |
Emp. Form. | C26H26N4O3 |
Mol. Mass. | 442.5096 |
SMILES | COc1ccc(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 |r| |
Structure |
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