| Reaction Details |
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 | Report a problem with these data |
| Target | Sterol 14-alpha demethylase cyp51A |
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| Ligand | BDBM25817 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_724287 (CHEMBL1677680) |
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| Kd | 11930±n/a nM |
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| Citation |  Warrilow, AG; Melo, N; Martel, CM; Parker, JE; Nes, WD; Kelly, SL; Kelly, DE Expression, purification, and characterization of Aspergillus fumigatus sterol 14-alpha demethylase (CYP51) isoenzymes A and B. Antimicrob Agents Chemother54:4225-34 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Sterol 14-alpha demethylase cyp51A |
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| Name: | Sterol 14-alpha demethylase cyp51A |
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| Synonyms: | 14-alpha sterol demethylase Cyp51A |
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| Type: | PROTEIN |
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| Mol. Mass.: | 58079.92 |
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| Organism: | Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSCA1100) (Aspergillus fumigatus) |
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| Description: | ChEMBL_724287 |
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| Residue: | 515 |
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| Sequence: | MVPMLWLTAYMAVAVLTAILLNVVYQLFFRLWNRTEPPMVFHWVPYLGSTISYGIDPYKF
FFACREKYGDIFTFILLGQKTTVYLGVQGNEFILNGKLKDVNAEEVYSPLTTPVFGSDVV
YDCPNSKLMEQKKFIKYGLTQSALESHVPLIEKEVLDYLRDSPNFQGSSGRVDISAAMAE
ITIFTAARALQGQEVRSKLTAEFADLYHDLDKGFTPINFMLPWAPLPHNKKRDAAHARMR
SIYVDIITQRRLDGEKDSQKSDMIWNLMNCTYKNGQQVPDKEIAHMMITLLMAGQHSSSS
ISAWIMLRLASQPKVLEELYQEQLANLGPAGPDGSLPPLQYKDLDKLPFHQHVIRETLRI
HSSIHSIMRKVKSPLPVPGTPYMIPPGRVLLASPGVTALSDEHFPNAGCWDPHRWENQAT
KEQENDKVVDYGYGAVSKGTSSPYLPFGAGRHRCIGEKFAYVNLGVILATIVRHLRLFNV
DGKKGVPETDYSSLFSGPMKPSIIGWEKRSKNTSK
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| BDBM25817 |
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| n/a |
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| Name | BDBM25817 |
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| Synonyms: | 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol | CHEMBL106 | Diflucan | Fluconazole | Fluconazole (f) | Fungata | Triflucan | US10221160, Fluconazole | US11247981, Example Fluconazole | US9138393, Fluconazole | US9144538, Fluconazole | US9221791, Fluconazole | US9556143, Fluconazole | cid_3365 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H12F2N6O |
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| Mol. Mass. | 306.2708 |
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| SMILES | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F |
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| Structure | 
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