| Reaction Details |
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 | Report a problem with these data |
| Target | Lanosterol 14-alpha demethylase |
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| Ligand | BDBM50505763 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1823976 (CHEMBL4323740) |
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| Kd | 2500±n/a nM |
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| Citation |  Friggeri, L; Hargrove, TY; Wawrzak, Z; Guengerich, FP; Lepesheva, GI Validation of Human Sterol 14?-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors. J Med Chem62:10391-10401 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Lanosterol 14-alpha demethylase |
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| Name: | Lanosterol 14-alpha demethylase |
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| Synonyms: | CP51A_HUMAN | CYP51 | CYP51A1 | CYPLI | Cytochrome P450 51 | Cytochrome P450 51A1 | LDM | Lanosterol 14-alpha demethylase | P450-14DM | P45014DM | P450LI | Sterol 14α-demethylase (CYP51) | Sterol 14-alpha demethylase |
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| Type: | Protein |
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| Mol. Mass.: | 56817.21 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q16850 |
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| Residue: | 509 |
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| Sequence: | MAAAAGMLLLGLLQAGGSVLGQAMEKVTGGNLLSMLLIACAFTLSLVYLIRLAAGHLVQL
PAGVKSPPYIFSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAA
ALLFNSKNEDLNAEDVYSRLTTPVFGKGVAYDVPNPVFLEQKKMLKSGLNIAHFKQHVSI
IEKETKEYFESWGESGEKNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGF
SHAAWLLPGWLPLPSFRRRDRAHREIKDIFYKAIQKRRQSQEKIDDILQTLLDATYKDGR
PLTDDEVAGMLIGLLLAGQHTSSTTSAWMGFFLARDKTLQKKCYLEQKTVCGENLPPLTY
DQLKDLNLLDRCIKETLRLRPPIMIMMRMARTPQTVAGYTIPPGHQVCVSPTVNQRLKDS
WVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDL
IDGYFPTVNYTTMIHTPENPVIRYKRRSK
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| BDBM50505763 |
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| n/a |
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| Name | BDBM50505763 |
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| Synonyms: | CHEMBL4466288 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H25ClF2N6O2 |
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| Mol. Mass. | 659.083 |
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| SMILES | Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2cc(ccc2F)-c2ccccn2)c(Cl)c1 |r| |
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| Structure | 
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