| Reaction Details |
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 | Report a problem with these data |
| Target | Sterol 14-alpha demethylase |
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| Ligand | BDBM213824 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | CYP51 Inhibition Assay |
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| pH | 7.4±n/a |
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| Temperature | 310.15±n/a K |
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| Kd | 18± 1 nM |
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| Comments | extracted |
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| Citation |  Hargrove, TY; Wawrzak, Z; Alexander, PW; Chaplin, JH; Keenan, M; Charman, SA; Perez, CJ; Waterman, MR; Chatelain, E; Lepesheva, GI Complexes of Trypanosoma cruzi sterol 14a-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: structural basis for pathogen selectivity. J Biol Chem288:31602-15 (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 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 54690.12 |
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| Organism: | Trypanosoma cruzi |
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| Description: | Q7Z1V1 |
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| Residue: | 481 |
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| Sequence: | MFIEAIVLALTALILYSVYSVKSFNTTRPTDPPVYPVTVPFLGHIVQFGKNPLEFMQRCK
RDLKSGVFTISIGGQRVTIVGDPHEHSRFFSPRNEILSPREVYTIMTPVFGEGVAYAAPY
PRMREQLNFLAEELTIAKFQNFVPAIQHEVRKFMAENWKEDEGVINLLEDCGAMIINTAC
QCLFGEDLRKRLNARHFAQLLSKMESSLIPAAVFMPWLLRLPLPQSARCREARAELQKIL
GEIIVAREKEEASKDNNTSDLLGGLLKAVYRDGTRMSLHEVCGMIVAAMFAGQHTSTITT
SWSMLHLMHPKNKKWLDKLHKEIDEFPAQLNYDNVMDEMPFAERCVRESIRRDPPLLMVM
RMVKAEVKVGSYVVPKGDIIACSPLLSHHDEEAFPNPRLWDPERDEKVDGAFIGFGAGVH
KCIGQKFALLQVKTILATAFREYDFQLLRDEVPDPDYHTMVVGPTLNQCLVKYTRKKKLP
S
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| BDBM213824 |
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| n/a |
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| Name | BDBM213824 |
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| Synonyms: | Posaconazole |
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| Type | Small organic molecule |
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| Emp. Form. | C37H42F2N8O4 |
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| Mol. Mass. | 700.7774 |
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| SMILES | CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |
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| Structure | 
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