Reaction Details |
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Target | Sterol 14-alpha demethylase |
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Ligand | BDBM50276214 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1789366 (CHEMBL4261100) |
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Kd | 4.2±n/a nM |
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Citation | Friggeri, L; Hargrove, TY; Rachakonda, G; Blobaum, AL; Fisher, P; de Oliveira, GM; da Silva, CF; Soeiro, MNC; Nes, WD; Lindsley, CW; Villalta, F; Guengerich, FP; Lepesheva, GI Sterol 14?-Demethylase Structure-Based Optimization of Drug Candidates for Human Infections with the Protozoan Trypanosomatidae. J Med Chem61:10910-10921 (2018) [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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BDBM50276214 |
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n/a |
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Name | BDBM50276214 |
Synonyms: | CHEMBL4129161 |
Type | Small organic molecule |
Emp. Form. | C26H17Cl2F2N5O2 |
Mol. Mass. | 540.348 |
SMILES | Fc1ccc(cc1F)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl |r| |
Structure |
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