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Target
Sterol 14-alpha demethylase cyp51A
Ligand
BDBM50333117
Substrate
n/a
Meas. Tech.
ChEMBL_724287 (CHEMBL1677680)
Kd
3630±n/a nM
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 Chemother 54:4225-34 (2010) [PubMed]  Article 
Target
Name:
Sterol 14-alpha demethylase cyp51A
Synonyms:
14-alpha sterol demethylase Cyp51A
Type:
PROTEIN
Mol. Mass.:
58079.92
Organism:
Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSCA1100) (Aspergillus fumigatus)
Description:
ChEMBL_724287
Residue:
515
Sequence:
MVPMLWLTAYMAVAVLTAILLNVVYQLFFRLWNRTEPPMVFHWVPYLGSTISYGIDPYKFFFACREKYGDIFTFILLGQKTTVYLGVQGNEFILNGKLKDVNAEEVYSPLTTPVFGSDVVYDCPNSKLMEQKKFIKYGLTQSALESHVPLIEKEVLDYLRDSPNFQGSSGRVDISAAMAEITIFTAARALQGQEVRSKLTAEFADLYHDLDKGFTPINFMLPWAPLPHNKKRDAAHARMRSIYVDIITQRRLDGEKDSQKSDMIWNLMNCTYKNGQQVPDKEIAHMMITLLMAGQHSSSSISAWIMLRLASQPKVLEELYQEQLANLGPAGPDGSLPPLQYKDLDKLPFHQHVIRETLRIHSSIHSIMRKVKSPLPVPGTPYMIPPGRVLLASPGVTALSDEHFPNAGCWDPHRWENQATKEQENDKVVDYGYGAVSKGTSSPYLPFGAGRHRCIGEKFAYVNLGVILATIVRHLRLFNVDGKKGVPETDYSSLFSGPMKPSIIGWEKRSKNTSK
  
Inhibitor
Name:
BDBM50333117
Synonyms:
(2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol | (2R,3S)-2-(2,4-Difluoro-phenyl)-3-(5-fluoro-pyrimidin-4-yl)-1-[1,2,4]triazol-1-yl-butan-2-ol | (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol | CHEMBL638 | UK-109496 | US11247981, Example Voriconazole | US9221791, Voriconazole | VORICONAZOLE | Vfend
Type:
Small organic molecule
Emp. Form.:
C16H14F3N5O
Mol. Mass.:
349.3105
SMILES:
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
Structure:
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