| Reaction Details |
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 | Report a problem with these data |
| Target | Sterol 14-alpha demethylase |
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| Ligand | BDBM213825 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1789366 (CHEMBL4261100) |
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| Kd | 8.3±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 |
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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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| BDBM213825 |
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| n/a |
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| Name | BDBM213825 |
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| Synonyms: | VNI |
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| Type | Small organic molecule |
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| Emp. Form. | C26H19Cl2N5O2 |
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| Mol. Mass. | 504.367 |
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| SMILES | Clc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1 |r| |
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| Structure | 
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