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Target
Lanosterol 14-alpha demethylase
Ligand
BDBM50333117
Substrate
n/a
Meas. Tech.
ChEMBL_1715234 (CHEMBL4125283)
Kd
165±n/a nM
Citation
 Friggeri, L; Hargrove, TY; Wawrzak, Z; Blobaum, AL; Rachakonda, G; Lindsley, CW; Villalta, F; Nes, WD; Botta, M; Guengerich, FP; Lepesheva, GI Sterol 14?-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis. J Med Chem 61:5679-5691 (2018) [PubMed]  Article 
Target
Name:
Lanosterol 14-alpha demethylase
Synonyms:
1.14.14.154 | CP51_CANAL | CYP51 | CYPLI | Cytochrome P450 51 | Cytochrome P450-14DM | Cytochrome P450-LIA1 | ERG11 | ERG16 | ERG16 | Lanosterol 14-alpha demethylase | Sterol 14-alpha demethylase
Type:
PROTEIN
Mol. Mass.:
60679.24
Organism:
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)
Description:
ChEMBL_58
Residue:
528
Sequence:
MAIVETVIDGINYFLSLSVTQQISILLGVPFVYNLVWQYLYSLRKDRAPLVFYWIPWFGSAASYGQQPYEFFESCRQKYGDVFSFMLLGKIMTVYLGPKGHEFVFNAKLSDVSAEDAYKHLTTPVFGKGVIYDCPNSRLMEQKKFAKFALTTDSFKRYVPKIREEILNYFVTDESFKLKEKTHGVANVMKTQPEITIFTASRSLFGDEMRRIFDRSFAQLYSDLDKGFTPINFVFPNLPLPHYWRRDAAQKKISATYMKEIKSRRERGDIDPNRDLIDSLLIHSTYKDGVKMTDQEIANLLIGILMGGQHTSASTSAWFLLHLGEKPHLQDVIYQEVVELLKEKGGDLNDLTYEDLQKLPSVNNTIKETLRMHMPLHSIFRKVTNPLRIPETNYIVPKGHYVLVSPGYAHTSERYFDNPEDFDPTRWDTAAAKANSVSFNSSDEVDYGFGKVSKGVSSPYLPFGGGRHRCIGEQFAYVQLGTILTTFVYNLRWTIDGYKVPDPDYSSMVVLPTEPAEIIWEKRETCMF
  
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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