| Reaction Details |
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 | Report a problem with these data |
| Target | Sterol 14-alpha demethylase cyp51A |
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| Ligand | BDBM50181473 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_724287 (CHEMBL1677680) |
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| Kd | 2690±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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| BDBM50181473 |
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| n/a |
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| Name | BDBM50181473 |
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| Synonyms: | 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one | 4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one | 4-[4-(4-{4-[(R)-5-(2,4-difluoro-phenyl)-5-(4,5-dihydro-[1,2,4]triazol-1-ylmethyl)-tetrahydro-furan-3-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2-((1S,2S)-1-ethyl-2-hydroxy-propyl)-2,4-dihydro-[1,2,4]triazol-3-one | CHEMBL1397 | Noxafil | POSACONAZOLE | pasaconazole |
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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(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |r| |
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| Structure | 
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